 Entering Gaussian System, Link 0=g16
 Input=07_transpinane_STD_M11-def2SVPDr.in
 Output=07_transpinane_STD_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
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                 11.124501923            0.44241976651
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            ****
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            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    1   1.00
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                 10.433943171           -0.41205302672
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
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            S    2   1.00
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            S    1   1.00
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                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
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            P    1   1.00
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            P    1   1.00
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                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
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                  6.2390917199           0.38470524721
            S    1   1.00
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                  2.2546815460           0.72619456861
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            P    3   1.00
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                 21.725228086            0.57393353332D-01
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
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            D    1   1.00
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            D    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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                  2.5207180000          -1.0707548832
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
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                 11.547491000            1.5261602829
            S    1   1.00
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                  5.9599790000          -0.83713508620273
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                  0.49702823217          0.51965388690539
            P    1   1.00
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                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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                  0.61042908544          0.42959071631
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            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
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            S    1   1.00
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
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                  6.3502060000          -0.76096056536
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                  0.62659600547          0.51483045040
            P    1   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
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            S    1   1.00
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                  6.3036410000          -0.56379438345
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                  0.68442749722          0.52445339821
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
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            S    1   1.00
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            P    4   1.00
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                  6.2456140000          -0.44863071815131
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                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
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            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
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                  7.2000000000          -0.95441807252
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                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
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            F    1   1.00
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            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
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            S    1   1.00
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                  7.3353260000          -0.72681584494
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                  0.78159310216          0.49579068859
            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
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            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
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            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.1690950000          -0.44026342153
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                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/07_transpinane_STD/Gau-70139.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/07_transpinane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     70140.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=12
 Will use up to   12 processors via shared memory.
 %mem=128GB
 %chk=07_transpinane_STD_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 18:53:33 2021, MaxMem= 17179869184 cpu:               1.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "07_transpinane_STD_M11-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.528880000000      1.093729000000      0.246966000000
  C                                                -1.321456000000     -0.416759000000      0.534617000000
  C                                                -0.251555000000      1.852797000000     -0.188359000000
  C                                                 0.770710000000      0.903021000000     -0.813047000000
  C                                                 1.207111000000     -0.195282000000      0.209826000000
  C                                                -0.097064000000     -0.937248000000     -0.228322000000
  C                                                 0.020234000000     -0.208022000000     -1.592788000000
  H                                                -1.986528000000      1.578225000000      1.111675000000
  C                                                -2.579256000000     -1.209394000000      0.185867000000
  H                                                -1.133681000000     -0.556858000000      1.602321000000
  H                                                 1.569849000000      1.446260000000     -1.321922000000
  C                                                 1.387674000000      0.189094000000      1.672498000000
  C                                                 2.463556000000     -0.935948000000     -0.249050000000
  H                                                -0.064495000000     -2.029648000000     -0.222695000000
  H                                                 0.653697000000     -0.734184000000     -2.301610000000
  H                                                -0.904266000000      0.071251000000     -2.098034000000
  H                                                 0.543396000000      0.733850000000      2.089372000000
  H                                                 2.274733000000      0.817174000000      1.790633000000
  H                                                 1.536666000000     -0.704580000000      2.284391000000
  H                                                 2.414606000000     -1.247642000000     -1.291582000000
  H                                                 2.620603000000     -1.831637000000      0.357494000000
  H                                                 3.344630000000     -0.299271000000     -0.134439000000
  H                                                -2.262427000000      1.175948000000     -0.557656000000
  H                                                -0.525798000000      2.622427000000     -0.914283000000
  H                                                 0.202587000000      2.377960000000      0.654229000000
  H                                                -2.781972000000     -1.167070000000     -0.887575000000
  H                                                -3.453499000000     -0.808443000000      0.704109000000
  H                                                -2.474549000000     -2.259702000000      0.466325000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     28 NQM=       28 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          12          12           1           1           1           1           1           1           1
 AtmWgt=   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           0           0           1           1           1           1           1           1           1
 AtZEff=   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28
 IAtWgt=           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Thu Jul 22 18:53:33 2021, MaxMem= 17179869184 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.528880    1.093729    0.246966
      2          6           0       -1.321456   -0.416759    0.534617
      3          6           0       -0.251555    1.852797   -0.188359
      4          6           0        0.770710    0.903021   -0.813047
      5          6           0        1.207111   -0.195282    0.209826
      6          6           0       -0.097064   -0.937248   -0.228322
      7          6           0        0.020234   -0.208022   -1.592788
      8          1           0       -1.986528    1.578225    1.111675
      9          6           0       -2.579256   -1.209394    0.185867
     10          1           0       -1.133681   -0.556858    1.602321
     11          1           0        1.569849    1.446260   -1.321922
     12          6           0        1.387674    0.189094    1.672498
     13          6           0        2.463556   -0.935948   -0.249050
     14          1           0       -0.064495   -2.029648   -0.222695
     15          1           0        0.653697   -0.734184   -2.301610
     16          1           0       -0.904266    0.071251   -2.098034
     17          1           0        0.543396    0.733850    2.089372
     18          1           0        2.274733    0.817174    1.790633
     19          1           0        1.536666   -0.704580    2.284391
     20          1           0        2.414606   -1.247642   -1.291582
     21          1           0        2.620603   -1.831637    0.357494
     22          1           0        3.344630   -0.299271   -0.134439
     23          1           0       -2.262427    1.175948   -0.557656
     24          1           0       -0.525798    2.622427   -0.914283
     25          1           0        0.202587    2.377960    0.654229
     26          1           0       -2.781972   -1.167070   -0.887575
     27          1           0       -3.453499   -0.808443    0.704109
     28          1           0       -2.474549   -2.259702    0.466325
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.551561   0.000000
     3  C    1.548306   2.611181   0.000000
     4  C    2.539313   2.816944   1.528835   0.000000
     5  C    3.024661   2.558944   2.545758   1.563005   0.000000
     6  C    2.529993   1.533662   2.794605   2.116961   1.563125
     7  C    2.734777   2.523798   2.508638   1.551008   2.158299
     8  H    1.091742   2.180660   2.185317   3.429696   3.762710
     9  C    2.532074   1.527075   3.864615   4.084409   3.919894
    10  H    2.172005   1.093105   3.129076   3.404696   2.747560
    11  H    3.491104   3.908609   2.183518   1.092101   2.274311
    12  C    3.369984   3.000203   2.986263   2.658622   1.523075
    13  C    4.506125   3.900001   3.892635   2.562348   1.528989
    14  H    3.481449   2.180570   3.887100   3.105902   2.273534
    15  H    3.821014   3.470760   3.460893   2.215841   2.627545
    16  H    2.633368   2.709807   2.691987   2.269048   3.139295
    17  H    2.796122   2.686789   2.659332   2.916218   2.199204
    18  H    4.114227   4.004091   3.372100   3.008090   2.159591
    19  H    4.096656   3.363541   3.981508   3.572841   2.161437
    20  H    4.837378   4.240699   4.235356   2.748953   2.195389
    21  H    5.078208   4.192026   4.703435   3.502945   2.167354
    22  H    5.083013   4.715273   4.191283   2.920801   2.167561
    23  H    1.091910   2.148302   2.153627   3.056081   3.808805
    24  H    2.166008   3.459629   1.092934   2.155815   3.493720
    25  H    2.193876   3.185509   1.091786   2.156643   2.797881
    26  H    2.822877   2.172258   4.001438   4.112466   4.249876
    27  H    2.744339   2.174339   4.258068   4.803625   4.726687
    28  H    3.491118   2.175023   4.720483   4.708643   4.228740
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.551547   0.000000
     8  H    3.419542   3.812072   0.000000
     9  C    2.531184   3.305103   2.996542   0.000000
    10  H    2.137879   3.414957   2.350885   2.126460   0.000000
    11  H    3.107357   2.282832   4.311337   5.151796   4.457887
    12  C    2.661994   3.562259   3.691808   4.461208   2.630323
    13  C    2.560704   2.881897   5.289224   5.068913   4.063422
    14  H    1.092900   2.280933   4.300175   2.676521   2.577393
    15  H    2.214362   1.086531   4.895767   4.106745   4.297306
    16  H    2.272547   1.089939   3.707357   3.108351   3.760290
    17  H    2.928218   3.836551   2.840665   4.141314   2.171574
    18  H    3.574856   4.193010   4.381612   5.499406   3.679771
    19  H    3.006149   4.192690   4.358825   4.647521   2.760035
    20  H    2.745060   2.627651   5.755966   5.207972   4.630572
    21  H    2.920415   3.633407   5.781142   5.239769   4.155635
    22  H    3.501583   3.631352   5.787835   6.001945   4.810193
    23  H    3.043494   2.863112   1.739141   2.518544   2.990349
    24  H    3.650430   2.961412   2.707138   4.484403   4.100082
    25  H    3.443732   3.430691   2.375091   4.563674   3.361197
    26  H    2.774196   3.044578   3.488033   1.093235   3.047754
    27  H    3.485925   4.207501   2.830954   1.092537   2.500327
    28  H    2.807820   3.830572   3.922286   1.092139   2.447058
                   11         12         13         14         15
    11  H    0.000000
    12  C    3.252723   0.000000
    13  C    2.761283   2.472972   0.000000
    14  H    3.995162   3.259351   2.754617   0.000000
    15  H    2.559972   4.145443   2.743957   2.552629   0.000000
    16  H    2.935003   4.414044   3.971828   2.938688   1.765621
    17  H    3.632914   1.087818   3.455931   3.654053   4.631200
    18  H    3.252785   1.093304   2.696182   4.198794   4.667004
    19  H    4.199132   1.093282   2.707578   3.256532   4.670323
    20  H    2.823410   3.450300   1.089230   2.810693   2.093943
    21  H    3.830030   2.707896   1.093077   2.754193   3.484818
    22  H    2.758050   2.707988   1.093062   3.824150   3.482370
    23  H    3.917079   4.389841   5.185582   3.901147   3.897917
    24  H    2.437473   4.034095   4.694764   4.725769   3.818733
    25  H    2.577333   2.689319   4.112162   4.501926   4.315776
    26  H    5.094752   5.077313   5.289300   2.927591   3.740415
    27  H    5.867070   5.036846   5.994690   3.719631   5.090081
    28  H    5.769674   4.729505   5.162264   2.517148   4.446863
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.479858   0.000000
    18  H    5.077811   1.758896   0.000000
    19  H    5.075994   1.758891   1.761895   0.000000
    20  H    3.661250   4.342648   3.712557   3.721999   0.000000
    21  H    4.698436   3.727722   3.031454   2.481554   1.761515
    22  H    4.695328   3.722847   2.469217   3.046924   1.761628
    23  H    2.331892   3.882634   5.121426   5.103599   5.318559
    24  H    2.837781   3.705650   4.291676   5.055121   4.875014
    25  H    3.757789   2.208820   2.832182   3.733530   4.671638
    26  H    2.554296   4.851163   6.056425   5.378280   5.212882
    27  H    3.889017   4.502532   6.052752   5.235439   6.213721
    28  H    3.804611   4.550124   5.811767   4.670505   5.293235
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.764755   0.000000
    23  H    5.807499   5.813301   0.000000
    24  H    5.599638   4.911689   2.288092   0.000000
    25  H    4.863698   4.202618   2.998298   1.746579   0.000000
    26  H    5.583875   6.233421   2.422500   4.410365   4.883850
    27  H    6.169423   6.868550   2.636003   4.791815   4.850012
    28  H    5.114260   6.169850   3.591270   5.434969   5.358197
                   26         27         28
    26  H    0.000000
    27  H    1.764375   0.000000
    28  H    1.766748   1.766646   0.000000
 Stoichiometry    C10H18
 Framework group  C1[X(C10H18)]
 Deg. of freedom    78
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.82D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.528880    1.093729    0.246966
      2          6           0       -1.321456   -0.416759    0.534617
      3          6           0       -0.251555    1.852797   -0.188359
      4          6           0        0.770710    0.903021   -0.813047
      5          6           0        1.207111   -0.195282    0.209826
      6          6           0       -0.097064   -0.937248   -0.228322
      7          6           0        0.020234   -0.208022   -1.592788
      8          1           0       -1.986528    1.578225    1.111675
      9          6           0       -2.579256   -1.209394    0.185867
     10          1           0       -1.133681   -0.556858    1.602321
     11          1           0        1.569849    1.446260   -1.321922
     12          6           0        1.387674    0.189094    1.672498
     13          6           0        2.463556   -0.935948   -0.249050
     14          1           0       -0.064495   -2.029648   -0.222695
     15          1           0        0.653697   -0.734184   -2.301610
     16          1           0       -0.904266    0.071251   -2.098034
     17          1           0        0.543396    0.733850    2.089372
     18          1           0        2.274733    0.817174    1.790633
     19          1           0        1.536666   -0.704580    2.284391
     20          1           0        2.414606   -1.247642   -1.291582
     21          1           0        2.620603   -1.831637    0.357494
     22          1           0        3.344630   -0.299271   -0.134439
     23          1           0       -2.262427    1.175948   -0.557656
     24          1           0       -0.525798    2.622427   -0.914283
     25          1           0        0.202587    2.377960    0.654229
     26          1           0       -2.781972   -1.167070   -0.887575
     27          1           0       -3.453499   -0.808443    0.704109
     28          1           0       -2.474549   -2.259702    0.466325
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.9658786           1.1625021           1.0803891
 Leave Link  202 at Thu Jul 22 18:53:33 2021, MaxMem= 17179869184 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     15     16     17     18     19     20
 Centers:      21     22     23     24     25     26     27     28
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9     12     13
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   364 symmetry adapted cartesian basis functions of A   symmetry.
 There are   344 symmetry adapted basis functions of A   symmetry.
   344 basis functions,   500 primitive gaussians,   364 cartesian basis functions
    39 alpha electrons       39 beta electrons
       nuclear repulsion energy       595.1708560182 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   28 NActive=   28 NUniq=   28 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Jul 22 18:53:34 2021, MaxMem= 17179869184 cpu:               7.0 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   344 RedAO= T EigKep=  1.29D-05  NBF=   344
 NBsUse=   344 1.00D-06 EigRej= -1.00D+00 NBFU=   344
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   364   364   364   364   364 MxSgAt=    28 MxSgA2=    28.
 Leave Link  302 at Thu Jul 22 18:53:34 2021, MaxMem= 17179869184 cpu:               4.7 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 18:53:35 2021, MaxMem= 17179869184 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "07_transpinane_STD_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 18:53:35 2021, MaxMem= 17179869184 cpu:               4.3 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 17179869184 LenX= 17179596104 LenY= 17179463167
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -391.323740714500    
 DIIS: error= 4.97D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -391.323740714500     IErMin= 1 ErrMin= 4.97D-03
 ErrMax= 4.97D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.38D-02 BMatP= 1.38D-02
 IDIUse=3 WtCom= 9.50D-01 WtEn= 4.97D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.464 Goal=   None    Shift=    0.000
 GapD=    0.464 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.13D-02 MaxDP=1.20D+00              OVMax= 1.48D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.02D-02    CP:  1.22D+00
 E= -391.338827618209     Delta-E=       -0.015086903709 Rises=F Damp=F
 DIIS: error= 5.02D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -391.338827618209     IErMin= 2 ErrMin= 5.02D-04
 ErrMax= 5.02D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.88D-04 BMatP= 1.38D-02
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.02D-03
 Coeff-Com: -0.921D-01 0.109D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.916D-01 0.109D+01
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=2.22D-03 MaxDP=2.77D-01 DE=-1.51D-02 OVMax= 4.64D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.15D-04    CP:  1.28D+00  1.16D+00
 E= -391.339383496198     Delta-E=       -0.000555877989 Rises=F Damp=F
 DIIS: error= 1.32D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -391.339383496198     IErMin= 3 ErrMin= 1.32D-04
 ErrMax= 1.32D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.50D-05 BMatP= 2.88D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.32D-03
 Coeff-Com: -0.255D-01 0.133D+00 0.892D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.255D-01 0.133D+00 0.893D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=1.69D-04 MaxDP=1.16D-02 DE=-5.56D-04 OVMax= 9.75D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.25D-04    CP:  1.28D+00  1.17D+00  1.04D+00
 E= -391.339411881870     Delta-E=       -0.000028385671 Rises=F Damp=F
 DIIS: error= 5.83D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -391.339411881870     IErMin= 4 ErrMin= 5.83D-05
 ErrMax= 5.83D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.93D-06 BMatP= 2.50D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.125D-03-0.536D-01 0.231D+00 0.822D+00
 Coeff:      0.125D-03-0.536D-01 0.231D+00 0.822D+00
 Gap=     0.412 Goal=   None    Shift=    0.000
 RMSDP=4.95D-05 MaxDP=4.68D-03 DE=-2.84D-05 OVMax= 4.08D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.05D-05    CP:  1.28D+00  1.17D+00  1.08D+00  9.92D-01
 E= -391.339416357479     Delta-E=       -0.000004475609 Rises=F Damp=F
 DIIS: error= 1.65D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -391.339416357479     IErMin= 5 ErrMin= 1.65D-05
 ErrMax= 1.65D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.70D-07 BMatP= 3.93D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.182D-02-0.239D-01-0.113D-02 0.250D+00 0.773D+00
 Coeff:      0.182D-02-0.239D-01-0.113D-02 0.250D+00 0.773D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=1.13D-05 MaxDP=3.53D-04 DE=-4.48D-06 OVMax= 1.46D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.02D-06    CP:  1.28D+00  1.17D+00  1.08D+00  1.03D+00  9.57D-01
 E= -391.339416756373     Delta-E=       -0.000000398895 Rises=F Damp=F
 DIIS: error= 5.72D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -391.339416756373     IErMin= 6 ErrMin= 5.72D-06
 ErrMax= 5.72D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.23D-08 BMatP= 3.70D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.509D-03-0.446D-02-0.133D-01 0.271D-01 0.221D+00 0.769D+00
 Coeff:      0.509D-03-0.446D-02-0.133D-01 0.271D-01 0.221D+00 0.769D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=5.00D-06 MaxDP=3.24D-04 DE=-3.99D-07 OVMax= 4.11D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.74D-06    CP:  1.28D+00  1.17D+00  1.08D+00  1.03D+00  1.02D+00
                    CP:  1.04D+00
 E= -391.339416783962     Delta-E=       -0.000000027588 Rises=F Damp=F
 DIIS: error= 1.73D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -391.339416783962     IErMin= 7 ErrMin= 1.73D-06
 ErrMax= 1.73D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.33D-09 BMatP= 2.23D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.107D-03 0.219D-02-0.355D-02-0.256D-01-0.440D-01 0.196D+00
 Coeff-Com:  0.875D+00
 Coeff:     -0.107D-03 0.219D-02-0.355D-02-0.256D-01-0.440D-01 0.196D+00
 Coeff:      0.875D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=1.52D-06 MaxDP=7.35D-05 DE=-2.76D-08 OVMax= 1.72D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.09D-06    CP:  1.28D+00  1.17D+00  1.08D+00  1.04D+00  1.02D+00
                    CP:  1.12D+00  1.00D+00
 E= -391.339416787390     Delta-E=       -0.000000003428 Rises=F Damp=F
 DIIS: error= 3.00D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -391.339416787390     IErMin= 8 ErrMin= 3.00D-07
 ErrMax= 3.00D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.10D-10 BMatP= 2.33D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.559D-04 0.750D-03-0.154D-04-0.699D-02-0.240D-01-0.874D-02
 Coeff-Com:  0.169D+00 0.870D+00
 Coeff:     -0.559D-04 0.750D-03-0.154D-04-0.699D-02-0.240D-01-0.874D-02
 Coeff:      0.169D+00 0.870D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=4.21D-07 MaxDP=2.27D-05 DE=-3.43D-09 OVMax= 4.50D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.59D-07    CP:  1.28D+00  1.17D+00  1.08D+00  1.04D+00  1.03D+00
                    CP:  1.14D+00  1.07D+00  1.11D+00
 E= -391.339416787518     Delta-E=       -0.000000000128 Rises=F Damp=F
 DIIS: error= 9.63D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -391.339416787518     IErMin= 9 ErrMin= 9.63D-08
 ErrMax= 9.63D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.32D-11 BMatP= 1.10D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.650D-05 0.339D-04 0.215D-03 0.150D-03-0.276D-02-0.173D-01
 Coeff-Com: -0.273D-01 0.230D+00 0.817D+00
 Coeff:     -0.650D-05 0.339D-04 0.215D-03 0.150D-03-0.276D-02-0.173D-01
 Coeff:     -0.273D-01 0.230D+00 0.817D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=1.17D-07 MaxDP=5.76D-06 DE=-1.28D-10 OVMax= 1.21D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.61D-08    CP:  1.28D+00  1.17D+00  1.08D+00  1.04D+00  1.03D+00
                    CP:  1.14D+00  1.08D+00  1.17D+00  1.14D+00
 E= -391.339416787554     Delta-E=       -0.000000000036 Rises=F Damp=F
 DIIS: error= 3.84D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -391.339416787554     IErMin=10 ErrMin= 3.84D-08
 ErrMax= 3.84D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-12 BMatP= 1.32D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.373D-05-0.665D-04 0.577D-04 0.772D-03 0.189D-02-0.335D-02
 Coeff-Com: -0.252D-01-0.276D-01 0.230D+00 0.823D+00
 Coeff:      0.373D-05-0.665D-04 0.577D-04 0.772D-03 0.189D-02-0.335D-02
 Coeff:     -0.252D-01-0.276D-01 0.230D+00 0.823D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=4.00D-08 MaxDP=2.57D-06 DE=-3.58D-11 OVMax= 4.30D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.12D-08    CP:  1.28D+00  1.17D+00  1.08D+00  1.04D+00  1.03D+00
                    CP:  1.14D+00  1.08D+00  1.18D+00  1.22D+00  9.93D-01
 E= -391.339416787606     Delta-E=       -0.000000000052 Rises=F Damp=F
 DIIS: error= 4.94D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -391.339416787606     IErMin=11 ErrMin= 4.94D-09
 ErrMax= 4.94D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.75D-14 BMatP= 1.17D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.196D-06-0.520D-06-0.689D-05-0.298D-04 0.925D-04 0.792D-03
 Coeff-Com:  0.138D-02-0.911D-02-0.370D-01-0.296D-01 0.107D+01
 Coeff:      0.196D-06-0.520D-06-0.689D-05-0.298D-04 0.925D-04 0.792D-03
 Coeff:      0.138D-02-0.911D-02-0.370D-01-0.296D-01 0.107D+01
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=1.11D-08 MaxDP=9.89D-07 DE=-5.16D-11 OVMax= 9.73D-08

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  4.62D-09    CP:  1.28D+00  1.17D+00  1.08D+00  1.04D+00  1.03D+00
                    CP:  1.14D+00  1.08D+00  1.19D+00  1.24D+00  1.07D+00
                    CP:  1.19D+00
 E= -391.339416787556     Delta-E=        0.000000000050 Rises=F Damp=F
 DIIS: error= 1.69D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -391.339416787606     IErMin=12 ErrMin= 1.69D-09
 ErrMax= 1.69D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.02D-15 BMatP= 2.75D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.252D-06 0.513D-05-0.525D-05-0.691D-04-0.133D-03 0.434D-03
 Coeff-Com:  0.228D-02 0.325D-03-0.259D-01-0.737D-01 0.242D+00 0.855D+00
 Coeff:     -0.252D-06 0.513D-05-0.525D-05-0.691D-04-0.133D-03 0.434D-03
 Coeff:      0.228D-02 0.325D-03-0.259D-01-0.737D-01 0.242D+00 0.855D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=2.86D-09 MaxDP=2.35D-07 DE= 4.98D-11 OVMax= 3.37D-08

 SCF Done:  E(RM11) =  -391.339416788     A.U. after   12 cycles
            NFock= 12  Conv=0.29D-08     -V/T= 2.0135
 KE= 3.861425625159D+02 PE=-2.093190904530D+03 EE= 7.205380692088D+02
 Leave Link  502 at Thu Jul 22 18:55:46 2021, MaxMem= 17179869184 cpu:            1568.9 elap:             131.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   344
 NBasis=   344 NAE=    39 NBE=    39 NFC=     0 NFV=     0
 NROrb=    344 NOA=    39 NOB=    39 NVA=   305 NVB=   305

 **** Warning!!: The largest alpha MO coefficient is  0.56196712D+02

 Leave Link  801 at Thu Jul 22 18:55:47 2021, MaxMem= 17179869184 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8471 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   17179869184 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          28
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.98D-13 8.33D-09 XBig12= 1.00D+00 1.05D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.98D-13 8.33D-09 XBig12= 1.08D-01 3.83D-02.
     11 vectors produced by pass  2 Test12= 1.98D-13 8.33D-09 XBig12= 1.36D-02 1.21D-02.
     11 vectors produced by pass  3 Test12= 1.98D-13 8.33D-09 XBig12= 1.32D-03 4.32D-03.
     11 vectors produced by pass  4 Test12= 1.98D-13 8.33D-09 XBig12= 9.20D-05 1.22D-03.
     11 vectors produced by pass  5 Test12= 1.98D-13 8.33D-09 XBig12= 7.02D-06 3.50D-04.
     11 vectors produced by pass  6 Test12= 1.98D-13 8.33D-09 XBig12= 2.04D-07 8.12D-05.
     11 vectors produced by pass  7 Test12= 1.98D-13 8.33D-09 XBig12= 6.33D-09 9.91D-06.
     11 vectors produced by pass  8 Test12= 1.98D-13 8.33D-09 XBig12= 1.82D-10 1.47D-06.
      9 vectors produced by pass  9 Test12= 1.98D-13 8.33D-09 XBig12= 3.97D-12 1.94D-07.
      5 vectors produced by pass 10 Test12= 1.98D-13 8.33D-09 XBig12= 6.70D-14 2.74D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   113 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.125865D+03
      2 -0.127800D+00  0.112470D+03
      3  0.662815D+00 -0.146836D+00  0.108506D+03
 Isotropic polarizability for W=    0.093368      115.61 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.430351D+01 -0.198155D+02  0.115813D+02
      2  -0.637888D+01  0.987169D+01 -0.376462D+01
      3   0.106824D+02  0.994381D+01 -0.781664D+01
      4  -0.272041D+02 -0.942852D+01  0.278445D+01
      5   0.184201D+02  0.176164D+01  0.152892D+02
      6   0.131538D+01  0.470988D+01 -0.366633D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1   0.214334D+01  0.114482D+01  0.216387D+01
      2   0.333186D+01 -0.931529D+00  0.542078D+01
      3   0.420320D+01  0.292039D+01 -0.130800D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.102282D+01  0.847449D+01  0.136101D+02
      2  -0.683888D+01  0.146907D+01  0.460679D+01
      3  -0.738861D+01  0.304964D+01 -0.446256D+00
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.137547D+01 -0.914718D+00 -0.814075D+00
      2  -0.914718D+00  0.784941D+00 -0.112824D+01
      3  -0.814075D+00 -0.112824D+01  0.494342D+00
 OR G Eigenvalues:    -2.2326     0.3503     1.7861  Iso=     0.0321
 Eigenvectors:
   (1)   0.818603   0.401656   0.410562
   (2)  -0.571299   0.495711   0.654132
   (3)  -0.059216   0.770028  -0.635256
 w=    0.093368 a.u., Optical Rotation Beta=      0.0321 au.
 Molar Mass =    138.2522 grams/mole, [Alpha] ( 4880.0 A) =       13.07 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   59340 ScalPx= 3.67D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   59340 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.50D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.30D-14 2.78D-09 XBig12= 1.00D+00 3.47D-01.
     30 vectors produced by pass  1 Test12= 3.30D-14 2.78D-09 XBig12= 3.40D-02 1.72D-02.
     30 vectors produced by pass  2 Test12= 3.30D-14 2.78D-09 XBig12= 2.83D-03 4.96D-03.
     30 vectors produced by pass  3 Test12= 3.30D-14 2.78D-09 XBig12= 4.34D-05 7.72D-04.
     30 vectors produced by pass  4 Test12= 3.30D-14 2.78D-09 XBig12= 8.45D-07 1.41D-04.
     30 vectors produced by pass  5 Test12= 3.30D-14 2.78D-09 XBig12= 1.16D-08 1.23D-05.
     30 vectors produced by pass  6 Test12= 3.30D-14 2.78D-09 XBig12= 1.19D-10 1.06D-06.
     30 vectors produced by pass  7 Test12= 3.30D-14 2.78D-09 XBig12= 1.20D-12 9.99D-08.
     12 vectors produced by pass  8 Test12= 3.30D-14 2.78D-09 XBig12= 1.10D-14 1.08D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   252 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   59340 ScalPx= 4.51D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   59340 ScalPx= 4.51D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   59340 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.21D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.125865D+03 -0.127800D+00  0.662815D+00
      2  -0.127800D+00  0.112470D+03 -0.146836D+00
      3   0.662815D+00 -0.146836D+00  0.108506D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.214334D+01  0.114482D+01  0.216387D+01
      2   0.333186D+01 -0.931529D+00  0.542078D+01
      3   0.420320D+01  0.292039D+01 -0.130800D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.430351D+01 -0.198155D+02  0.115813D+02
      2  -0.637888D+01  0.987169D+01 -0.376462D+01
      3   0.106824D+02  0.994381D+01 -0.781664D+01
      4  -0.272041D+02 -0.942852D+01  0.278445D+01
      5   0.184201D+02  0.176164D+01  0.152892D+02
      6   0.131538D+01  0.470988D+01 -0.366633D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    84 ND12= 1 LenFil=    3027:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.989979D+00 -0.276584D+01  0.113199D+01 -0.317655D+01  0.687926D-01
      2  -0.276584D+01 -0.453995D+00  0.132447D+01  0.687926D-01  0.321684D+01
      3   0.113199D+01  0.132447D+01  0.291412D+01  0.171654D+01 -0.134739D+01
                 6             7             8             9            10 
      1   0.171654D+01  0.881979D+00  0.203360D+01  0.420644D+01 -0.709316D-01
      2  -0.134739D+01  0.203360D+01 -0.207375D+01 -0.214082D+01  0.353717D+01
      3  -0.160994D+01  0.420644D+01 -0.214082D+01 -0.351066D+00  0.159120D+01
                11            12            13            14            15 
      1   0.353717D+01  0.159120D+01  0.441359D+01  0.748924D+00  0.653878D-01
      2   0.149743D+01 -0.179615D+00  0.748924D+00 -0.514886D+01  0.679080D+00
      3  -0.179615D+00 -0.201448D+01  0.653878D-01  0.679080D+00  0.112096D+01
                16            17            18            19            20 
      1   0.246670D+01 -0.235732D-01 -0.235072D+01  0.877788D+00  0.182791D+01
      2  -0.235732D-01  0.145814D+01  0.132683D+01  0.182791D+01  0.670604D+00
      3  -0.235072D+01  0.132683D+01 -0.625486D+01 -0.762897D+00 -0.340799D+01
                21            22            23            24            25 
      1  -0.762897D+00  0.220296D+01  0.553505D+00 -0.322833D+01 -0.696357D+00
      2  -0.340799D+01  0.553505D+00 -0.383875D+01  0.158799D+01 -0.392012D+01
      3  -0.676236D+00 -0.322833D+01  0.158799D+01 -0.264329D+01 -0.871582D+00
                26            27            28            29            30 
      1  -0.392012D+01 -0.871582D+00 -0.250706D+01 -0.231330D+01  0.735192D+00
      2   0.207976D+01 -0.398211D+01 -0.231330D+01 -0.181558D+01  0.461167D+01
      3  -0.398211D+01 -0.404528D+00  0.735192D+00  0.461167D+01 -0.141736D+01
                31            32            33            34            35 
      1  -0.257528D+01 -0.156498D+01  0.458954D+01  0.847324D+00  0.520947D+01
      2  -0.156498D+01  0.164807D+01  0.410445D+00  0.520947D+01 -0.596689D+00
      3   0.458954D+01  0.410445D+00  0.250377D+01 -0.143291D+01  0.230680D+01
                36            37            38            39            40 
      1  -0.143291D+01  0.461733D+01  0.469725D+01  0.326179D+01  0.562630D+01
      2   0.230680D+01  0.469725D+01  0.136588D+01 -0.144244D+01  0.249653D+01
      3  -0.721206D+00  0.326179D+01 -0.144244D+01  0.566484D+00 -0.210600D+01
                41            42            43            44            45 
      1   0.249653D+01 -0.210600D+01  0.414207D+01 -0.207370D+01  0.212634D+00
      2  -0.303468D+01  0.310056D+01 -0.207370D+01  0.398190D+01 -0.261228D+01
      3   0.310056D+01 -0.256109D+01  0.212634D+00 -0.261228D+01 -0.197375D+01
                46            47            48            49            50 
      1  -0.371439D+01 -0.331068D+01 -0.296864D+01 -0.388327D+01 -0.236014D+00
      2  -0.331068D+01 -0.354092D+00 -0.223185D+00 -0.236014D+00  0.805802D+01
      3  -0.296864D+01 -0.223185D+00 -0.100875D+01 -0.237502D-01 -0.757497D+00
                51            52            53            54            55 
      1  -0.237502D-01 -0.522583D+01 -0.413572D+00 -0.255468D+00  0.159689D+01
      2  -0.757497D+00 -0.413572D+00 -0.542172D+00 -0.210924D+01 -0.254551D+00
      3  -0.243907D+01 -0.255468D+00 -0.210924D+01  0.386054D+01  0.326937D+01
                56            57            58            59            60 
      1  -0.254551D+00  0.326937D+01 -0.568772D+00 -0.188995D+01 -0.329219D+01
      2  -0.163326D+01 -0.342216D+01 -0.188995D+01 -0.149627D+01 -0.176025D+01
      3  -0.342216D+01  0.519764D+00 -0.329219D+01 -0.176025D+01  0.251865D+01
                61            62            63            64            65 
      1   0.294375D+01 -0.254267D+01  0.487444D+00 -0.307715D+01  0.183790D+01
      2  -0.254267D+01 -0.124585D+01  0.203122D+01  0.183790D+01 -0.126682D+01
      3   0.487444D+00  0.203122D+01 -0.627297D+00  0.185526D+01 -0.110383D+01
                66            67            68            69            70 
      1   0.185526D+01  0.176733D+01 -0.167346D+01 -0.120958D+01  0.289143D+01
      2  -0.110383D+01 -0.167346D+01  0.243745D+01  0.198762D+01 -0.173460D+01
      3  -0.191474D+01 -0.120958D+01  0.198762D+01  0.170476D+01 -0.307268D+01
                71            72            73            74            75 
      1  -0.173460D+01 -0.307268D+01  0.170792D+01 -0.383768D+01 -0.283015D+01
      2   0.264559D+01  0.243229D+01 -0.383768D+01 -0.170273D+01  0.621665D+00
      3   0.243229D+01  0.429789D+01 -0.283015D+01  0.621665D+00  0.243335D+01
                76            77            78            79            80 
      1  -0.532055D+01 -0.468528D+00  0.558416D+00 -0.358752D+01  0.258018D+00
      2  -0.468528D+00  0.621581D+01 -0.202985D+01  0.258018D+00 -0.222467D+01
      3   0.558416D+00 -0.202985D+01 -0.471404D+00  0.305879D+01 -0.773489D-02
                81            82            83            84            85 
      1   0.305879D+01  0.612139D+00 -0.634921D+00  0.105059D+01 -0.904082D+00
      2  -0.773489D-02 -0.634921D+00 -0.118571D+00 -0.230733D-01 -0.179004D+00
      3   0.481975D+01  0.105059D+01 -0.230733D-01  0.588030D+00  0.904618D-01
                86            87            88            89            90 
      1  -0.179004D+00  0.904618D-01  0.178321D+01  0.266219D+00  0.444833D+00
      2  -0.300122D+00  0.119641D+01  0.266219D+00  0.114455D+01 -0.127256D+01
      3   0.119641D+01 -0.112229D+01  0.444833D+00 -0.127256D+01  0.801927D+01
                91            92            93            94            95 
      1   0.585023D+01  0.303437D+01 -0.250766D+01  0.243865D+01  0.229286D+01
      2   0.303437D+01  0.278594D+01 -0.191637D+01  0.229286D+01  0.364431D+01
      3  -0.250766D+01 -0.191637D+01  0.222322D+01 -0.161095D+01 -0.166508D+01
                96            97            98            99           100 
      1  -0.161095D+01 -0.199152D+01 -0.160890D+01  0.224833D+01 -0.181212D+01
      2  -0.166508D+01 -0.160890D+01 -0.141835D+01  0.159226D+01 -0.460210D+01
      3   0.123229D+01  0.224833D+01  0.159226D+01 -0.260906D+01 -0.310832D+01
               101           102           103           104           105 
      1  -0.460210D+01 -0.310832D+01 -0.501940D+01 -0.179814D+01  0.116249D+01
      2  -0.122362D+01  0.892360D+00 -0.179814D+01  0.120894D+01 -0.392329D+01
      3   0.892360D+00  0.475236D+00  0.116249D+01 -0.392329D+01  0.291038D+01
               106           107           108           109           110 
      1  -0.296187D+01  0.142105D+01  0.453693D+00 -0.208737D+01 -0.440363D+01
      2   0.142105D+01 -0.323946D+01  0.259063D+01 -0.440363D+01 -0.952124D+00
      3   0.453693D+00  0.259063D+01  0.148439D+01 -0.205834D+01  0.117047D+01
               111           112           113           114           115 
      1  -0.205834D+01 -0.533666D+01 -0.244460D+01  0.153039D+01 -0.234036D+01
      2   0.117047D+01 -0.244460D+01  0.311052D+01 -0.257800D+01  0.137665D+01
      3   0.233293D+00  0.153039D+01 -0.257800D+01  0.279911D+01 -0.448860D+00
               116           117           118           119           120 
      1   0.137665D+01 -0.448860D+00  0.238020D-01 -0.122053D+01  0.505574D+00
      2  -0.298355D+01  0.322209D+01 -0.122053D+01  0.392101D+00 -0.724870D-01
      3   0.322209D+01  0.418182D+01  0.505574D+00 -0.724870D-01  0.793966D-01
               121           122           123           124           125 
      1  -0.152508D+01 -0.311047D+00  0.985394D-01  0.778159D+00  0.950465D-01
      2  -0.311047D+00 -0.106865D+02  0.894751D-01  0.950465D-01  0.260039D+00
      3   0.985394D-01  0.894751D-01 -0.840814D+00 -0.975357D-01 -0.120853D+01
               126           127           128           129           130 
      1  -0.975357D-01  0.226032D+01 -0.101866D+01 -0.207840D+01 -0.107148D+01
      2  -0.120853D+01 -0.101866D+01  0.124593D+01  0.119528D+01  0.113716D+01
      3  -0.123773D+00 -0.207840D+01  0.119528D+01  0.258904D+01  0.115686D+01
               131           132           133           134           135 
      1   0.113716D+01  0.115686D+01 -0.175012D+01  0.933590D+00  0.208798D+01
      2  -0.188257D+01 -0.175774D+01  0.933590D+00 -0.149426D+01 -0.229687D+01
      3  -0.175774D+01 -0.269910D+01  0.208798D+01 -0.229687D+01 -0.597149D+01
               136           137           138           139           140 
      1  -0.483697D+01  0.416242D+00 -0.313550D+01  0.958539D+00 -0.723243D+00
      2   0.416242D+00 -0.819889D+00  0.646614D+00 -0.723243D+00  0.739880D+00
      3  -0.313550D+01  0.646614D+00 -0.346294D+01  0.914119D+00 -0.786104D+00
               141           142           143           144           145 
      1   0.914119D+00 -0.239585D+01  0.458639D+00 -0.241794D+01 -0.352788D+01
      2  -0.786104D+00  0.458639D+00 -0.497655D+00  0.190769D+00  0.179970D+01
      3   0.815701D+00 -0.241794D+01  0.190769D+00 -0.415764D+01  0.120650D+01
               146           147           148           149           150 
      1   0.179970D+01  0.120650D+01  0.200906D+01 -0.101066D+01 -0.612736D+00
      2  -0.130101D+01 -0.899842D+00 -0.101066D+01  0.169943D+01  0.148629D+01
      3  -0.899842D+00 -0.241032D+01 -0.612736D+00  0.148629D+01  0.131370D+01
               151           152           153           154           155 
      1   0.128891D+01 -0.729587D+00 -0.142603D+01  0.642682D+01  0.292084D+01
      2  -0.729587D+00  0.121511D+01  0.923906D+00  0.292084D+01  0.220814D+01
      3  -0.142603D+01  0.923906D+00  0.218071D+01  0.259151D+01  0.100544D+01
               156           157           158           159           160 
      1   0.259151D+01  0.348529D+01  0.252821D+01  0.118802D+01  0.102605D+01
      2   0.100544D+01  0.252821D+01  0.255978D+01  0.160884D+01  0.375755D+00
      3   0.226235D+01  0.118802D+01  0.160884D+01  0.115632D+01  0.135565D+01
               161           162           163           164           165 
      1   0.375755D+00  0.135565D+01  0.109989D+01 -0.451725D+00  0.142545D+01
      2   0.632389D+00  0.595642D+00 -0.451725D+00  0.647108D+00 -0.443870D+00
      3   0.595642D+00  0.889975D+00  0.142545D+01 -0.443870D+00  0.783239D+00
               166           167           168           169           170 
      1  -0.111233D+01  0.127719D+01 -0.129753D+01  0.118907D+01 -0.731235D+00
      2   0.127719D+01 -0.410991D+01  0.318475D+01 -0.731235D+00  0.212099D+01
      3  -0.129753D+01  0.318475D+01 -0.440173D+01  0.117555D+01 -0.267685D+01
               171           172           173           174           175 
      1   0.117555D+01  0.137013D+00  0.153146D+00 -0.993197D+00  0.564381D-01
      2  -0.267685D+01  0.153146D+00  0.743938D-01  0.164264D+00  0.728511D+00
      3   0.459380D+01 -0.993197D+00  0.164264D+00  0.399723D+00  0.309123D+00
               176           177           178           179           180 
      1   0.728511D+00  0.309123D+00 -0.207309D+01  0.765309D+00  0.128867D+01
      2  -0.162829D+01 -0.122887D+01  0.765309D+00 -0.149284D+01 -0.218705D+01
      3  -0.122887D+01 -0.182964D+01  0.128867D+01 -0.218705D+01 -0.639272D+01
               181           182           183           184           185 
      1   0.157960D+01 -0.101084D+01  0.881529D+00 -0.204008D+01  0.295947D+01
      2  -0.101084D+01  0.102456D+01 -0.521332D+00  0.295947D+01 -0.649407D+01
      3   0.881529D+00 -0.521332D+00  0.251279D+00 -0.954373D+00  0.224992D+01
               186           187           188           189           190 
      1  -0.954373D+00  0.210175D+01 -0.150988D+01  0.105659D+01  0.897602D+01
      2   0.224992D+01 -0.150988D+01  0.300629D+01 -0.214021D+01  0.205378D+01
      3  -0.193107D+01  0.105659D+01 -0.214021D+01  0.177065D+01  0.332993D+00
               191           192           193           194           195 
      1   0.205378D+01  0.332993D+00  0.489200D+01  0.205615D+01 -0.126931D+00
      2   0.146832D+01  0.572339D-02  0.205615D+01  0.157753D+01  0.369220D+00
      3   0.572339D-02  0.817868D+00 -0.126931D+00  0.369220D+00  0.520176D+00
               196           197           198           199           200 
      1   0.978087D+00 -0.111570D+00  0.124474D+01 -0.468577D+01  0.105117D+01
      2  -0.111570D+00  0.508884D+00  0.102074D+00  0.105117D+01 -0.114577D+01
      3   0.124474D+01  0.102074D+00 -0.818415D-01 -0.218489D+01  0.364977D+00
               201           202           203           204           205 
      1  -0.218489D+01  0.728713D+00 -0.938207D+00  0.136013D+00 -0.333158D+01
      2   0.364977D+00 -0.938207D+00  0.142724D+00 -0.545315D+00  0.265760D+00
      3  -0.172830D+01  0.136013D+00 -0.545315D+00  0.427121D+00 -0.223024D+01
               206           207           208           209           210 
      1   0.265760D+00 -0.223024D+01 -0.126691D+01  0.137333D+01 -0.756556D+00
      2  -0.128390D+01  0.922994D+00  0.137333D+01 -0.172144D+01  0.104354D+01
      3   0.922994D+00 -0.254969D+01 -0.756556D+00  0.104354D+01 -0.443791D+00
               211           212           213           214           215 
      1   0.964381D+00 -0.138073D+01  0.765634D+00 -0.110834D+01  0.128345D+01
      2  -0.138073D+01  0.783815D+01 -0.319202D+01  0.128345D+01 -0.474073D+01
      3   0.765634D+00 -0.319202D+01  0.222164D+01 -0.523017D+00  0.352684D+01
               216           217           218           219           220 
      1  -0.523017D+00  0.176713D+01  0.955026D+00  0.123725D+01  0.723248D+00
      2   0.352684D+01  0.955026D+00  0.183077D+01  0.119433D+01  0.113896D+01
      3  -0.313252D+01  0.123725D+01  0.119433D+01  0.122404D+01  0.852945D+00
               221           222           223           224           225 
      1   0.113896D+01  0.852945D+00  0.162875D+01  0.118839D+01  0.129647D+01
      2   0.438020D+01  0.189859D+01  0.118839D+01  0.302726D+01  0.276294D+01
      3   0.189859D+01  0.183588D+01  0.129647D+01  0.276294D+01  0.349289D+01
               226           227           228           229           230 
      1  -0.158209D+01  0.152794D+00 -0.106529D+01  0.699710D+00 -0.345664D+00
      2   0.152794D+00 -0.506141D-01 -0.245590D+00 -0.345664D+00 -0.721384D+00
      3  -0.106529D+01 -0.245590D+00 -0.135148D+01 -0.138386D+00 -0.709955D+00
               231           232           233           234           235 
      1  -0.138386D+00 -0.258719D+01 -0.872231D+00 -0.227185D+01 -0.910286D+01
      2  -0.709955D+00 -0.872231D+00 -0.133056D+01 -0.675292D+00  0.750884D+00
      3  -0.194027D-01 -0.227185D+01 -0.675292D+00 -0.630776D+01  0.285552D+01
               236           237           238           239           240 
      1   0.750884D+00  0.285552D+01  0.315439D+01 -0.110669D+01 -0.792444D+00
      2  -0.100465D+01 -0.297165D+00 -0.110669D+01  0.376438D+00  0.778192D+00
      3  -0.297165D+00 -0.186560D+01 -0.792444D+00  0.778192D+00  0.759031D+00
               241           242           243           244           245 
      1   0.400134D+01 -0.762101D-01 -0.257265D+01 -0.251366D+00 -0.737054D+00
      2  -0.762101D-01  0.106739D+01  0.249530D+00 -0.737054D+00  0.352979D+00
      3  -0.257265D+01  0.249530D+00  0.154509D+01  0.518090D+00 -0.418417D-01
               246           247           248           249           250 
      1   0.518090D+00 -0.158708D+01 -0.191535D+01  0.258711D+00  0.110108D+01
      2  -0.418417D-01 -0.191535D+01 -0.951274D+01  0.165400D+01  0.416914D+00
      3  -0.664560D-01  0.258711D+00  0.165400D+01 -0.127065D+01 -0.646329D+00
               251           252 
      1   0.416914D+00 -0.646329D+00
      2   0.201614D+01 -0.146727D+01
      3  -0.146727D+01  0.522427D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.484331D+01 -0.360702D+01 -0.364887D+01 -0.382861D+01  0.661587D+01
      2  -0.332023D+01 -0.228945D+01 -0.608517D+01 -0.259910D+01  0.315572D+01
      3  -0.751440D+01 -0.102811D+02  0.627064D+01 -0.286911D+01  0.711093D+01
                 6             7             8             9            10 
      1   0.415319D+00 -0.462116D+01  0.594410D+01 -0.325797D+00  0.447560D+01
      2   0.394169D+01 -0.146376D+02  0.494311D+01  0.304455D-01 -0.353475D+01
      3  -0.187747D+00  0.753144D+01 -0.570837D+00  0.762634D+00  0.805192D+01
                11            12            13            14            15 
      1   0.235801D+01 -0.144860D+01  0.193779D+01 -0.392444D+01 -0.102268D+01
      2  -0.132436D+01  0.488703D+01 -0.166382D+01 -0.274997D+01 -0.181630D+01
      3  -0.451073D+01 -0.254074D+01  0.327063D+01 -0.110808D+02  0.167278D+01
                16            17            18            19            20 
      1  -0.610561D+00  0.648312D+01 -0.473909D+01  0.208680D+01  0.103873D+02
      2  -0.131190D+00 -0.237109D+01  0.144106D+02 -0.201412D+01  0.135769D+01
      3  -0.279754D+01  0.292449D+01  0.211553D+01  0.333620D+01  0.415148D+01
                21            22            23            24            25 
      1   0.286670D+01  0.100956D+02 -0.342292D+01  0.543356D+01  0.428424D+01
      2   0.242504D+01  0.148632D+01 -0.349184D-01 -0.559159D+00 -0.242427D+01
      3  -0.254834D+01  0.113001D+02  0.107870D+00 -0.823221D+01 -0.313705D+01
                26            27            28            29            30 
      1   0.141048D+02  0.345330D+01  0.738836D+00 -0.770866D+01 -0.501565D+01
      2  -0.147274D+01  0.141677D+01 -0.516058D+00  0.374592D+01  0.213665D+01
      3  -0.907416D+01 -0.271952D+01  0.148518D+01 -0.634239D+01 -0.169754D+01
                31            32            33            34            35 
      1  -0.721220D+01 -0.259094D+01 -0.799216D+01 -0.351001D+01 -0.725550D+00
      2   0.341744D+01  0.201699D+00  0.835005D+01 -0.515875D+01  0.100927D+02
      3   0.111576D+01 -0.413934D+01  0.626808D+01 -0.407632D+01  0.768206D+01
                36            37            38            39            40 
      1  -0.278938D+01  0.470409D+01  0.636624D+00 -0.119401D+00  0.213039D+01
      2  -0.157923D+01  0.471611D+01 -0.417664D+01  0.420085D+01 -0.627815D+01
      3  -0.383491D+01 -0.114979D+02 -0.101967D+02  0.118728D+01 -0.254640D+01
                41            42            43            44            45 
      1   0.440568D+00 -0.431550D+01 -0.955511D+00  0.531847D+01 -0.361123D+01
      2   0.658531D+01 -0.635137D+01 -0.702766D+01 -0.644109D+01 -0.591292D+01
      3   0.398911D+01 -0.536874D+01  0.141390D+01 -0.807801D+01  0.647318D+01
                46            47            48            49            50 
      1  -0.599610D+01 -0.757578D+00 -0.984637D+00  0.216589D+00  0.715266D-01
      2  -0.149484D+01 -0.102081D+01  0.132781D+01  0.250743D+00  0.427077D+00
      3   0.446826D+01  0.178499D+01  0.348483D+01  0.111669D+02  0.352639D+01
                51            52            53            54            55 
      1  -0.802781D+01 -0.284628D+01 -0.139268D+01  0.917537D+01  0.287609D+01
      2   0.237593D+01 -0.582625D+01 -0.117398D+00 -0.245068D+01  0.504084D+01
      3   0.402835D+00  0.633057D+01  0.223660D+00 -0.689912D+00 -0.656916D+00
                56            57            58            59            60 
      1   0.555987D+01  0.977932D+01  0.250666D+01  0.273758D+01  0.475404D+01
      2  -0.242627D+01  0.133940D+02 -0.257406D+01 -0.687975D+01 -0.104162D+02
      3  -0.200864D+01 -0.244077D+01  0.312228D+01  0.104905D+01  0.142948D+01
                61            62            63            64            65 
      1   0.848028D+01  0.834880D+01 -0.734323D+01 -0.191093D+01  0.418061D+00
      2   0.489801D+01 -0.734905D+01  0.647563D+00 -0.197999D+01  0.161989D+01
      3  -0.142982D+01  0.110152D+01  0.202320D+00 -0.125643D+01 -0.152727D+01
                66            67            68            69            70 
      1   0.298544D+01  0.131140D+01 -0.125022D+01 -0.288012D+01  0.387771D+01
      2   0.466116D+01  0.125627D+01 -0.363341D+01 -0.376129D+01  0.306726D+01
      3   0.364634D+00  0.149373D+01  0.266597D+01  0.169444D+01  0.165175D+01
                71            72            73            74            75 
      1  -0.374460D-01 -0.604218D+01 -0.601114D+01 -0.529003D+00  0.377114D+01
      2  -0.417815D+01 -0.834458D+01  0.101454D+02 -0.626387D-01 -0.517259D+01
      3   0.413161D+01  0.174714D+00 -0.166588D+02 -0.157877D+01  0.623466D+01
                76            77            78            79            80 
      1  -0.848205D-01 -0.268922D+01 -0.271254D+01  0.550116D+01  0.194708D+01
      2  -0.180316D+00  0.671741D+01  0.117109D+01 -0.128107D+02 -0.144565D+01
      3   0.101502D+02  0.223265D+02 -0.789876D+01  0.604488D+01 -0.734095D+01
                81            82            83            84            85 
      1   0.738332D+01  0.412275D+00 -0.211121D+00  0.547830D+00 -0.120229D+00
      2  -0.168945D+02 -0.337742D+01  0.249937D+00 -0.149609D+01  0.686920D+00
      3  -0.439414D+01 -0.215923D+01 -0.240405D+00 -0.563151D+00  0.230071D+01
                86            87            88            89            90 
      1   0.566177D+00 -0.537832D+00  0.947349D+00  0.277963D+01  0.467129D+01
      2  -0.178503D+01  0.160203D+01 -0.626584D+01  0.146509D+01 -0.145057D+02
      3   0.463197D+00  0.212614D+01 -0.129734D+01  0.189902D+01 -0.156695D+01
                91            92            93            94            95 
      1  -0.291474D+00 -0.144372D+01 -0.180890D+01 -0.631469D+00 -0.274283D+01
      2   0.438375D+01  0.103966D+01  0.211962D+01  0.170598D+01  0.771200D+00
      3   0.572780D+01 -0.187330D+01 -0.104803D+01  0.289848D+01 -0.175590D+01
                96            97            98            99           100 
      1  -0.141456D+01 -0.121705D+01  0.150877D+01  0.256427D+01 -0.962752D+01
      2   0.741275D+00 -0.150280D+01 -0.319913D+00 -0.142439D+01 -0.173734D+01
      3  -0.285526D+00 -0.183244D+01  0.611258D-01  0.131366D+01  0.826225D+01
               101           102           103           104           105 
      1  -0.218445D+01  0.200045D+01 -0.519763D+01  0.260521D+01 -0.131620D+02
      2   0.117926D+02  0.120230D+02  0.134695D+02 -0.393168D+01  0.283980D+01
      3  -0.740385D+00 -0.275759D+01  0.474409D+01 -0.243443D+01  0.781030D+01
               106           107           108           109           110 
      1   0.355928D+01 -0.590425D+01  0.609867D+01 -0.733958D+00  0.168144D+01
      2   0.568251D+01  0.171917D+01  0.128682D+01 -0.665285D+01  0.239048D+01
      3  -0.356259D+01  0.630442D+01 -0.466733D+01  0.173949D+02  0.756443D+01
               111           112           113           114           115 
      1  -0.346172D+00  0.252174D+01 -0.433673D+01  0.265804D+01 -0.238857D+01
      2   0.173145D+01  0.227937D+01 -0.832689D+01  0.103297D+02 -0.661579D+01
      3  -0.167731D+01  0.168351D+02 -0.841656D+01  0.603605D+01 -0.143784D+01
               116           117           118           119           120 
      1   0.768998D+01  0.542301D+01  0.120950D+01 -0.644436D-01 -0.818935D-01
      2   0.120579D+02  0.152279D+02 -0.432514D+00 -0.215361D+00  0.982567D+00
      3   0.663691D+01 -0.100265D+02 -0.567204D-01  0.524771D+00 -0.585765D+00
               121           122           123           124           125 
      1   0.309063D+00  0.259890D+01 -0.523796D+01  0.138256D+00 -0.787745D+00
      2  -0.864741D-01 -0.624083D+00  0.265174D+00 -0.143522D+01  0.236391D+00
      3   0.683156D+01 -0.128508D+01 -0.853957D-01 -0.140824D+01 -0.216447D+00
               126           127           128           129           130 
      1   0.332231D-02  0.205240D+01 -0.390575D+01 -0.175383D+01 -0.279482D+01
      2   0.167903D-01  0.728460D+01 -0.270805D+01 -0.331836D+01 -0.365865D+01
      3  -0.533607D-01 -0.159691D+01 -0.514621D+00  0.833825D+00  0.225878D+01
               131           132           133           134           135 
      1   0.442723D+01  0.118730D+01 -0.177628D+01  0.403607D+01  0.271329D+01
      2   0.270878D+01  0.241943D+01 -0.617938D+01  0.232518D+01  0.290896D+01
      3  -0.114937D+00 -0.130600D+00  0.128807D+01  0.462449D+00 -0.655913D+00
               136           137           138           139           140 
      1  -0.193287D+01  0.403691D+01 -0.247660D+01  0.210710D+01 -0.258656D+01
      2  -0.144912D+02  0.120744D+01 -0.484607D+01  0.314854D+01 -0.164880D+01
      3   0.133662D+01 -0.256609D+01  0.117560D+01  0.511703D+00  0.622933D+00
               141           142           143           144           145 
      1   0.346864D+00 -0.153666D+01  0.275793D+01 -0.110643D+01  0.430556D+01
      2   0.187654D+01 -0.729777D+01  0.762626D+00 -0.420431D+01  0.136474D+02
      3  -0.398078D+00  0.342736D+00 -0.163682D+01  0.926542D+00 -0.526919D+01
               146           147           148           149           150 
      1  -0.436122D+01 -0.447958D+00 -0.335030D+01  0.457490D+01  0.126193D+01
      2  -0.605573D+01 -0.473130D+01 -0.692923D+01  0.501309D+01  0.274551D+01
      3   0.167814D+01  0.157811D+01  0.424833D+01 -0.276739D+01 -0.221786D+01
               151           152           153           154           155 
      1  -0.132468D+01  0.346277D+01  0.923343D+00  0.595486D+01  0.530292D+01
      2  -0.727357D+01  0.337034D+01  0.543479D+01 -0.892268D+01 -0.417031D+01
      3   0.213880D+01 -0.132726D+01 -0.188075D+01 -0.230395D+01 -0.528233D+01
               156           157           158           159           160 
      1   0.597986D+00  0.490392D+01  0.539266D+01  0.139311D+01  0.630648D+00
      2   0.145433D+01 -0.590842D+01 -0.211707D+01  0.738189D+00 -0.146242D+01
      3  -0.135756D+01 -0.156491D+01 -0.480506D+01 -0.234499D+01 -0.137030D+00
               161           162           163           164           165 
      1   0.220585D+01  0.100791D+01 -0.940815D+00  0.185537D+01 -0.953640D+00
      2  -0.281349D+00 -0.122432D+01  0.489616D+00  0.324464D-01 -0.366499D+00
      3  -0.113110D+01 -0.481072D+00  0.712871D+00 -0.187088D+01  0.989685D+00
               166           167           168           169           170 
      1   0.281084D+01 -0.107044D+02  0.492437D+01 -0.193293D+01  0.726840D+01
      2   0.143249D+01  0.313654D+01 -0.578291D+01 -0.244896D+01 -0.290615D+01
      3  -0.576273D-01  0.717024D+01 -0.529307D+01  0.552469D+00 -0.413237D+01
               171           172           173           174           175 
      1  -0.592713D+01 -0.172230D+01  0.119301D+00 -0.623601D-01 -0.693004D-02
      2   0.552464D+01 -0.349666D+01  0.856327D+00  0.410918D+00  0.470571D+00
      3   0.465176D+01  0.760822D-01 -0.990413D+00  0.802290D+00 -0.697300D+00
               176           177           178           179           180 
      1  -0.296382D-01 -0.291326D+01  0.294050D+00  0.333463D+00 -0.820056D+01
      2  -0.311240D+01 -0.565017D+01 -0.148575D+01 -0.580949D+01 -0.203640D+02
      3   0.358385D+01  0.315962D+01  0.133321D+01  0.401035D+01  0.566244D+01
               181           182           183           184           185 
      1   0.133971D+01 -0.938123D+00  0.764532D+00 -0.176279D+01  0.373740D+01
      2   0.286477D+01 -0.190631D+01  0.200817D+01 -0.236460D+01  0.746980D+01
      3   0.149920D+01 -0.348258D+01  0.603581D+00 -0.379260D+01  0.163768D+02
               186           187           188           189           190 
      1  -0.567060D+01  0.122481D+01 -0.208964D+01  0.383978D+01 -0.380763D+00
      2  -0.694888D+01  0.172615D+01 -0.623852D+01  0.557405D+01  0.319344D+01
      3  -0.569498D+01  0.696367D+00 -0.776565D+01  0.525998D+01 -0.154719D+02
               191           192           193           194           195 
      1  -0.394642D+00  0.250880D+00 -0.615769D+00 -0.145258D+00 -0.979271D+00
      2   0.995911D+00  0.530912D+01  0.920473D+00  0.181101D+01  0.268176D+01
      3  -0.957272D+01 -0.486337D+00 -0.911792D+01 -0.829066D+01 -0.114859D+01
               196           197           198           199           200 
      1   0.103228D+01  0.505913D+00 -0.270868D+00  0.371517D+01  0.318933D+00
      2   0.256861D+01  0.212282D+00  0.957862D-01  0.502814D+01 -0.905931D+00
      3  -0.402101D+00 -0.174788D+01 -0.134787D+01 -0.489194D+01 -0.310322D+01
               201           202           203           204           205 
      1   0.298090D+01 -0.140669D+00  0.537640D+00 -0.166186D+01  0.302079D+01
      2   0.630442D+01 -0.289954D+00  0.149531D+01 -0.104310D+01  0.392901D+01
      3  -0.263260D+01  0.221607D+00 -0.173463D+01 -0.926648D+00 -0.472433D+01
               206           207           208           209           210 
      1  -0.395373D-01  0.473256D+01  0.120226D+01 -0.248804D+01  0.137545D+01
      2  -0.187830D+01  0.752101D+01 -0.691968D+00  0.333480D+00  0.102684D+01
      3  -0.349915D+01 -0.141802D+01 -0.331797D+01  0.114214D+01 -0.148058D+01
               211           212           213           214           215 
      1  -0.155245D+01  0.483170D+01 -0.700455D+01  0.353608D+00 -0.517951D+01
      2   0.991082D+00  0.168787D+00 -0.820048D+00 -0.185294D+01 -0.204698D+00
      3   0.421449D+01 -0.810728D+00  0.894655D+00 -0.386162D+01  0.130540D+01
               216           217           218           219           220 
      1   0.765685D+01 -0.367335D+01 -0.298547D+01 -0.446438D+01 -0.240715D+01
      2   0.713066D+00  0.135745D-01 -0.293880D+00  0.779895D+00 -0.885626D+00
      3   0.611436D-01  0.564631D+01  0.668764D+00  0.361911D+01  0.334961D+01
               221           222           223           224           225 
      1  -0.488094D+01 -0.641721D+01 -0.417674D+01 -0.555968D+01 -0.116036D+02
      2  -0.609108D+00  0.278555D+00 -0.209454D+01 -0.274192D+00 -0.927146D+00
      3   0.288142D+01  0.269181D+01  0.614333D+01  0.322302D+01  0.365542D+01
               226           227           228           229           230 
      1  -0.160707D+01  0.143100D+00 -0.209714D+01 -0.206748D+00 -0.973784D+00
      2   0.317222D+01  0.734729D+00  0.492331D+01  0.557335D+00  0.205296D+01
      3   0.227864D+01 -0.114328D+01  0.798077D+00 -0.689529D+00 -0.131117D+01
               231           232           233           234           235 
      1  -0.830081D+00 -0.281998D+01  0.179002D+01 -0.100905D+02  0.399496D+01
      2  -0.246859D+00  0.383453D+01  0.148736D+01  0.217978D+02 -0.530655D+01
      3  -0.174302D+01  0.115892D+01 -0.371223D+01  0.144584D+01  0.147866D+02
               236           237           238           239           240 
      1  -0.141956D+01 -0.234344D+01 -0.115737D+01  0.149022D+01  0.533611D+00
      2   0.897581D+00  0.754947D+01  0.109840D+01 -0.203413D+01 -0.286940D+01
      3  -0.696771D+01 -0.511352D+01 -0.598238D+01  0.345744D+01  0.339531D+01
               241           242           243           244           245 
      1  -0.300048D+01  0.208240D+01  0.169255D+01  0.603487D+00  0.180958D+00
      2   0.493673D+01 -0.989948D+00 -0.419916D+01 -0.168296D+01  0.226162D+00
      3  -0.548672D+01  0.459370D+01  0.411487D+01 -0.233229D+01  0.103010D+01
               246           247           248           249           250 
      1   0.132848D+00 -0.108866D+00 -0.274169D+00 -0.439188D+01 -0.705839D+00
      2   0.624177D+00  0.246932D+00 -0.422745D+01  0.390903D+01  0.356079D+00
      3  -0.938297D+00  0.216276D+00 -0.264516D+02  0.470082D+01 -0.103546D+01
               251           252 
      1  -0.602743D+00  0.636927D+00
      2   0.367228D+01 -0.902057D+00
      3   0.567310D+01 -0.308373D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.317810D+01  0.833831D+01 -0.110058D+02  0.733902D+01 -0.179748D+01
      2   0.140816D+01 -0.597443D+01  0.639337D+01 -0.525177D+01  0.503181D+01
      3   0.176994D+01 -0.236388D+01  0.461238D+01 -0.208725D+01 -0.323433D+01
      4   0.130145D+02 -0.520099D+01  0.196695D+00 -0.740589D+01 -0.104918D+02
      5  -0.299922D+01 -0.494267D+01 -0.139759D+02 -0.663651D+01  0.498467D+01
      6   0.617909D+00  0.655989D+01  0.862764D+01  0.718428D+01 -0.521257D+01
                 6             7             8             9            10 
      1  -0.251703D+00 -0.139073D+02 -0.118955D+01 -0.122707D+02 -0.239837D+01
      2  -0.912895D+00  0.949558D+01  0.124247D+01  0.620587D+01 -0.128757D+01
      3   0.116460D+01  0.441176D+01 -0.529181D-01  0.606482D+01  0.368594D+01
      4   0.804969D+01 -0.882828D+00  0.113711D+02  0.183186D+02 -0.175475D+02
      5   0.782345D+01 -0.202819D+02  0.122625D+02  0.369519D+01 -0.391637D+01
      6  -0.607105D+01  0.130732D+02 -0.753158D+01 -0.675626D+01 -0.910116D+00
                11            12            13            14            15 
      1  -0.112466D+02 -0.279533D+01 -0.150623D+02 -0.677493D+01 -0.163061D+01
      2   0.217148D+01  0.182291D+01  0.563457D+01  0.609157D+01  0.959175D-01
      3   0.907511D+01  0.972413D+00  0.942773D+01  0.683368D+00  0.153469D+01
      4  -0.113017D+02 -0.266263D+01 -0.112373D+02  0.124095D+02 -0.862173D+00
      5   0.199398D+01  0.545833D+01  0.188354D+01 -0.136035D+01 -0.280394D+01
      6  -0.164171D+01  0.124439D+01 -0.838603D+00 -0.120752D+01 -0.158569D+01
                16            17            18            19            20 
      1  -0.319701D+01 -0.387778D+01  0.194000D+02 -0.566323D+01 -0.490443D+01
      2   0.181056D+01 -0.211001D+01  0.300627D+01  0.609387D+01  0.768379D+00
      3   0.138645D+01  0.598779D+01 -0.224063D+02 -0.430642D+00  0.413605D+01
      4  -0.469904D+01 -0.477441D+01 -0.136770D+01  0.519072D+00 -0.201353D+01
      5   0.106031D+02 -0.268758D+01  0.136603D+02 -0.232799D+01  0.550097D+00
      6   0.162636D+01  0.239675D+00  0.117278D+02 -0.330899D+01 -0.147128D+02
                21            22            23            24            25 
      1   0.113929D+02 -0.634089D+01  0.164805D+02 -0.551263D+01  0.148256D+02
      2  -0.163702D+02  0.322469D+01 -0.199869D+02  0.738009D+01 -0.185013D+02
      3   0.497733D+01  0.311620D+01  0.350638D+01 -0.186746D+01  0.367570D+01
      4  -0.214587D+01  0.120581D+01  0.405021D+01 -0.126504D+02 -0.354462D+01
      5  -0.135284D+01  0.859383D+00 -0.602592D+01  0.173218D+00  0.135590D+00
      6   0.493879D+00 -0.132409D+02  0.118363D+02 -0.164269D+02 -0.274952D+01
                26            27            28            29            30 
      1  -0.793367D+01  0.153374D+02 -0.378985D+01 -0.651120D-01 -0.301722D+01
      2   0.103039D+02 -0.204093D+02  0.257710D+01  0.886322D+01  0.861789D+01
      3  -0.237027D+01  0.507191D+01  0.121275D+01 -0.879811D+01 -0.560068D+01
      4  -0.152139D+02 -0.321912D+01 -0.117995D+02 -0.125154D+02  0.122756D+02
      5  -0.500429D+00 -0.382838D+01  0.946688D+01  0.105977D+02 -0.100218D+02
      6  -0.248270D+02  0.982098D+00  0.779659D+01  0.111438D+02 -0.121255D+02
                31            32            33            34            35 
      1   0.799421D+00 -0.577616D+01  0.731472D+01 -0.278421D+01  0.124807D+02
      2   0.550592D+01  0.105330D+02 -0.534502D+01  0.818662D+01 -0.637712D+01
      3  -0.630534D+01 -0.475687D+01 -0.196970D+01 -0.540241D+01 -0.610359D+01
      4  -0.116734D+02 -0.467496D+01  0.563285D+01  0.156399D+02  0.686828D+01
      5   0.794293D+01  0.163724D+01 -0.296926D+01 -0.844831D+01 -0.263346D+01
      6   0.763559D+01  0.133268D+01 -0.452030D+01 -0.895266D+01  0.340499D+00
                36            37            38            39            40 
      1  -0.565466D+01  0.372660D+01  0.136670D+02  0.122321D+02  0.156197D+02
      2   0.836226D+01 -0.930641D+01 -0.893404D+01 -0.633183D+01 -0.825019D+01
      3  -0.270760D+01  0.557980D+01 -0.473293D+01 -0.590031D+01 -0.736952D+01
      4   0.109923D+00  0.117350D+02 -0.159687D+01 -0.914174D+01  0.107342D+00
      5  -0.852598D+00  0.131258D+02 -0.332153D+01  0.567951D+01 -0.243470D+01
      6  -0.853027D+00 -0.156549D+01  0.994025D-01  0.263750D+01  0.216602D+01
                41            42            43            44            45 
      1  -0.578317D+00 -0.264867D+01  0.140932D+02 -0.522620D+01  0.616320D+01
      2  -0.105568D+01  0.581402D+01 -0.714618D+01  0.404853D+01 -0.929247D+00
      3   0.163400D+01 -0.316535D+01 -0.694700D+01  0.117767D+01 -0.523395D+01
      4  -0.456324D+01  0.838392D+01 -0.116919D+02  0.746704D+01 -0.994001D+01
      5   0.108768D+02 -0.693580D+01  0.317272D+01 -0.831112D+01 -0.547510D+01
      6   0.137161D+00  0.406585D+01 -0.114145D+01 -0.635786D+00 -0.107469D+01
                46            47            48            49            50 
      1  -0.910312D+01 -0.807258D-01 -0.197331D+01  0.135644D+01  0.212767D+02
      2   0.590144D+01  0.391144D+01  0.387096D+01  0.990421D+00 -0.332458D+02
      3   0.320169D+01 -0.383071D+01 -0.189765D+01 -0.234686D+01  0.119691D+02
      4   0.362369D+01  0.412434D+01  0.346683D+01  0.358352D+01  0.121348D+01
      5  -0.447102D+01 -0.340743D+01 -0.298424D+01 -0.437713D+01 -0.637228D+01
      6   0.842125D+00  0.404440D+00 -0.369907D+01 -0.266964D+01 -0.376922D+01
                51            52            53            54            55 
      1  -0.570448D+01 -0.945397D+00 -0.210024D+01  0.161741D+00  0.501047D+01
      2  -0.799837D+00  0.347462D+01 -0.962866D+00  0.839548D+01  0.780001D+01
      3   0.650432D+01 -0.252922D+01  0.306311D+01 -0.855722D+01 -0.128105D+02
      4  -0.320059D+01  0.634953D+01  0.123027D+01  0.119645D+01  0.189357D+01
      5   0.982400D+00 -0.224020D+01  0.121535D+01 -0.135809D+01 -0.618469D+01
      6   0.131759D+00 -0.176830D+00  0.395194D+01 -0.191960D+01  0.683940D+00
                56            57            58            59            60 
      1  -0.705763D+01 -0.106218D+01 -0.605166D+01 -0.525220D+01  0.647790D+01
      2  -0.816884D+01 -0.140329D+00 -0.817002D+01 -0.139777D+01  0.511073D+01
      3   0.152265D+02  0.120251D+01  0.142217D+02  0.664997D+01 -0.115886D+02
      4  -0.159928D+01 -0.235934D+01 -0.872231D+00  0.165514D+01  0.312887D+01
      5   0.126442D+01 -0.132568D+02  0.279194D+01  0.681118D+01  0.993390D+01
      6   0.450518D+01  0.150741D+02  0.730307D+01  0.121865D+01  0.196848D+01
                61            62            63            64            65 
      1  -0.249686D+01  0.166446D+01 -0.280632D+01  0.104011D+02 -0.464585D+01
      2  -0.167224D+01  0.704030D+01 -0.155501D+01 -0.533592D+01  0.728575D+00
      3   0.416910D+01 -0.870476D+01  0.436132D+01 -0.506519D+01  0.391728D+01
      4  -0.614991D+01  0.380953D+00  0.377413D+01 -0.151060D+02  0.115932D+02
      5  -0.917665D+01  0.733709D+01  0.144821D+01 -0.124268D+02  0.664960D+01
      6   0.108055D+02 -0.121006D+01 -0.606432D+01  0.784647D+01 -0.621710D+01
                66            67            68            69            70 
      1  -0.424210D+01 -0.244693D+01 -0.337669D+01 -0.198419D+01 -0.539583D+01
      2   0.299002D+01 -0.127621D+01  0.771033D+01  0.307133D+01  0.471531D+01
      3   0.125208D+01  0.372314D+01 -0.433364D+01 -0.108714D+01  0.680528D+00
      4   0.878658D+01  0.132388D+02 -0.133518D+02 -0.109042D+02  0.129313D+02
      5   0.126553D+02  0.643871D+01 -0.915642D+01 -0.785883D+01  0.174499D+02
      6  -0.723065D+01 -0.717843D+01  0.109457D+02  0.104097D+02 -0.117204D+02
                71            72            73            74            75 
      1  -0.207475D+01 -0.413068D-01 -0.206433D+02  0.182016D+02  0.191527D+02
      2   0.240294D+01 -0.604756D+01  0.215880D+02 -0.617586D+01 -0.118711D+02
      3  -0.328191D+00  0.608887D+01 -0.944758D+00 -0.120257D+02 -0.728159D+01
      4  -0.145032D+02 -0.155073D+02  0.218975D+02  0.142252D+02 -0.280385D-01
      5  -0.112838D+02 -0.202729D+02  0.219770D+02 -0.491460D+01 -0.159331D+02
      6   0.132778D+02  0.176845D+02  0.419403D+01 -0.534225D+00 -0.443558D+01
                76            77            78            79            80 
      1   0.308103D+02  0.214553D+02 -0.963425D+01  0.226816D+02 -0.629683D+01
      2  -0.177730D+02 -0.297326D+02  0.112508D+02 -0.113935D+02  0.103883D+02
      3  -0.130372D+02  0.827730D+01 -0.161659D+01 -0.112880D+02 -0.409143D+01
      4   0.101964D+02 -0.257277D+02  0.905474D+01  0.308251D+01  0.101857D+02
      5  -0.639023D+01  0.105573D+02  0.356292D+01 -0.217212D+02 -0.119388D-01
      6   0.149627D+00  0.123689D+02 -0.893547D+00 -0.655714D+01 -0.177744D+01
                81            82            83            84            85 
      1  -0.164824D+02 -0.130767D+01  0.235851D+01 -0.270476D+01  0.216215D+01
      2   0.116645D+02 -0.267466D+01 -0.632948D+00  0.377826D+00 -0.709019D+00
      3   0.481791D+01  0.398232D+01 -0.172556D+01  0.232694D+01 -0.145313D+01
      4  -0.342925D+01  0.182304D+01  0.288508D+01 -0.929497D+00  0.384579D+01
      5  -0.259338D+02 -0.428610D+00 -0.658676D+00  0.528681D+01 -0.753146D+00
      6  -0.128564D+02 -0.144802D+01  0.475325D+00 -0.680447D+00  0.367192D+00
                86            87            88            89            90 
      1  -0.365814D+01  0.320543D+01 -0.434595D+01  0.326855D+01 -0.204436D+02
      2   0.775214D+00 -0.613794D+00  0.767216D+00  0.135132D+01 -0.134190D+02
      3   0.288293D+01 -0.259164D+01  0.357873D+01 -0.461987D+01  0.338626D+02
      4   0.452807D+00 -0.268386D+01 -0.248243D+01 -0.374390D+01  0.196528D+01
      5  -0.236358D+01  0.249558D+01  0.418147D+01  0.336664D+01 -0.174372D+02
      6  -0.350637D+01  0.770258D+01  0.610846D-01  0.627544D+01 -0.120684D+02
                91            92            93            94            95 
      1   0.144405D+02  0.343843D+01 -0.213496D+01  0.805614D+00 -0.366454D+01
      2  -0.751656D+01  0.620574D+00  0.261479D+01  0.257726D+01  0.935837D+01
      3  -0.692398D+01 -0.405901D+01 -0.479822D+00 -0.338288D+01 -0.569383D+01
      4   0.223929D+02  0.174622D+02 -0.112527D+02  0.151535D+02  0.162806D+02
      5  -0.191680D+02 -0.113887D+02  0.147767D+02 -0.862705D+01 -0.946118D+01
      6  -0.122514D+02 -0.106585D+02  0.974523D+01 -0.943332D+01 -0.131687D+02
                96            97            98            99           100 
      1   0.175910D+01 -0.747327D+00  0.157894D+01 -0.231716D+01 -0.220253D+01
      2  -0.158402D+01  0.240907D+01  0.198259D+00 -0.501972D+01  0.449542D+01
      3  -0.175085D+00 -0.166174D+01 -0.177719D+01  0.733688D+01 -0.229289D+01
      4  -0.858224D+01 -0.922132D+01 -0.791987D+01  0.932344D+01 -0.182745D+02
      5   0.659043D+01  0.132455D+02  0.836068D+01 -0.118552D+02 -0.145895D+02
      6   0.972290D+01  0.931201D+01  0.982252D+01 -0.113023D+02 -0.164411D+02
               101           102           103           104           105 
      1  -0.191209D+02 -0.126319D+02 -0.221568D+02  0.262971D+01 -0.771735D+01
      2   0.458818D+01  0.305526D+01  0.507785D+01  0.831165D+01 -0.679323D+01
      3   0.145327D+02  0.957663D+01  0.170789D+02 -0.109414D+02  0.145106D+02
      4  -0.829602D+01 -0.177903D+01 -0.104942D+02  0.250588D+01 -0.133761D+02
      5  -0.113966D+02 -0.799173D+01 -0.114368D+02 -0.150133D+02  0.100907D+02
      6  -0.615441D+01  0.289807D+01 -0.903243D+01  0.656319D+01 -0.185367D+02
               106           107           108           109           110 
      1  -0.112608D+02 -0.341210D+01 -0.268210D+01 -0.211775D+02 -0.284120D+02
      2   0.282317D+01 -0.651270D+01 -0.500122D+01  0.156085D+02  0.171332D+02
      3   0.843759D+01  0.992480D+01  0.768332D+01  0.556896D+01  0.112788D+02
      4   0.237170D+01 -0.946399D+01  0.101763D+02 -0.265829D+02 -0.224188D+01
      5  -0.685592D+01  0.107775D+02  0.661292D+01 -0.100301D+02  0.690801D+01
      6   0.665745D+01 -0.129769D+02  0.127184D+02  0.563092D+01 -0.278874D+01
               111           112           113           114           115 
      1  -0.934526D+01 -0.373097D+02 -0.355832D+01  0.224305D+01 -0.114973D+02
      2   0.221291D+01  0.240614D+02 -0.662160D+01  0.634610D+01  0.131066D+01
      3   0.713235D+01  0.132484D+02  0.101799D+02 -0.858915D+01  0.101866D+02
      4   0.750586D+01 -0.952950D+01  0.159486D+02 -0.144979D+02  0.994036D+01
      5   0.118427D+01  0.874760D+01 -0.132599D+02  0.146227D+02 -0.212392D+01
      6   0.317652D+00 -0.407189D+01  0.835231D+01 -0.802924D+01  0.327050D+01
               116           117           118           119           120 
      1   0.233472D+01  0.709536D+01 -0.247030D+00  0.144331D+01 -0.318120D+00
      2   0.786078D+01 -0.616169D+01  0.446163D+01 -0.196973D+01 -0.518290D+00
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      5   0.732945D+01 -0.241251D+01
      6   0.102515D+02 -0.463050D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul 22 19:21:16 2021, MaxMem= 17179869184 cpu:           18309.3 elap:            1529.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.43885 -10.43236 -10.43209 -10.43054 -10.42668
 Alpha  occ. eigenvalues --  -10.42631 -10.42441 -10.42064 -10.41983 -10.41895
 Alpha  occ. eigenvalues --   -1.01584  -0.91698  -0.87965  -0.86199  -0.80784
 Alpha  occ. eigenvalues --   -0.78841  -0.74067  -0.70888  -0.68469  -0.61335
 Alpha  occ. eigenvalues --   -0.60332  -0.58962  -0.56489  -0.54071  -0.53417
 Alpha  occ. eigenvalues --   -0.52009  -0.50748  -0.49471  -0.48877  -0.47465
 Alpha  occ. eigenvalues --   -0.47307  -0.45603  -0.45215  -0.43917  -0.43008
 Alpha  occ. eigenvalues --   -0.40443  -0.38325  -0.37879  -0.36435
 Alpha virt. eigenvalues --    0.04825   0.06245   0.06894   0.07024   0.09091
 Alpha virt. eigenvalues --    0.09393   0.09826   0.10448   0.12276   0.12685
 Alpha virt. eigenvalues --    0.14240   0.15151   0.16032   0.16365   0.17171
 Alpha virt. eigenvalues --    0.17629   0.18711   0.19192   0.20132   0.20652
 Alpha virt. eigenvalues --    0.21184   0.21773   0.22018   0.22874   0.23646
 Alpha virt. eigenvalues --    0.24290   0.25474   0.25717   0.26609   0.27318
 Alpha virt. eigenvalues --    0.27527   0.28012   0.29375   0.29588   0.30196
 Alpha virt. eigenvalues --    0.30523   0.31011   0.31132   0.32161   0.32701
 Alpha virt. eigenvalues --    0.33912   0.34575   0.35092   0.35350   0.35799
 Alpha virt. eigenvalues --    0.36438   0.36608   0.36822   0.36924   0.37509
 Alpha virt. eigenvalues --    0.37922   0.38463   0.38675   0.39127   0.39395
 Alpha virt. eigenvalues --    0.39966   0.40148   0.40506   0.40832   0.41281
 Alpha virt. eigenvalues --    0.41939   0.42259   0.42810   0.42905   0.43793
 Alpha virt. eigenvalues --    0.44442   0.44583   0.44752   0.44916   0.45232
 Alpha virt. eigenvalues --    0.45911   0.46493   0.46728   0.47566   0.48219
 Alpha virt. eigenvalues --    0.48674   0.48913   0.49274   0.49732   0.50778
 Alpha virt. eigenvalues --    0.50993   0.51612   0.52167   0.52530   0.53554
 Alpha virt. eigenvalues --    0.53658   0.53929   0.54611   0.55303   0.55607
 Alpha virt. eigenvalues --    0.56424   0.56580   0.57096   0.57596   0.57980
 Alpha virt. eigenvalues --    0.58362   0.58712   0.59121   0.59459   0.60250
 Alpha virt. eigenvalues --    0.60599   0.61224   0.61798   0.62030   0.62551
 Alpha virt. eigenvalues --    0.63565   0.64020   0.64481   0.65105   0.65562
 Alpha virt. eigenvalues --    0.66699   0.67119   0.67404   0.68581   0.68936
 Alpha virt. eigenvalues --    0.69401   0.70186   0.70772   0.71426   0.71475
 Alpha virt. eigenvalues --    0.72309   0.73806   0.74400   0.74742   0.76248
 Alpha virt. eigenvalues --    0.76344   0.76871   0.77299   0.79027   0.80035
 Alpha virt. eigenvalues --    0.81040   0.81959   0.83367   0.84325   0.84454
 Alpha virt. eigenvalues --    0.85529   0.86013   0.87351   0.87627   0.88248
 Alpha virt. eigenvalues --    0.90453   0.91120   0.92607   0.99632   1.00755
 Alpha virt. eigenvalues --    1.03082   1.04118   1.04510   1.05652   1.06028
 Alpha virt. eigenvalues --    1.07189   1.07981   1.08316   1.08738   1.10466
 Alpha virt. eigenvalues --    1.11325   1.11821   1.12196   1.12439   1.12988
 Alpha virt. eigenvalues --    1.14202   1.14701   1.15636   1.17125   1.17705
 Alpha virt. eigenvalues --    1.18502   1.18919   1.22262   1.23759   1.24697
 Alpha virt. eigenvalues --    1.25599   1.26770   1.28139   1.31288   1.32640
 Alpha virt. eigenvalues --    1.33384   1.36272   1.37230   1.39807   1.41551
 Alpha virt. eigenvalues --    1.42591   1.42941   1.44064   1.46738   1.47788
 Alpha virt. eigenvalues --    1.49186   1.50562   1.52167   1.53298   1.54621
 Alpha virt. eigenvalues --    1.56511   1.59059   1.60255   1.61516   1.62339
 Alpha virt. eigenvalues --    1.63876   1.67365   1.69242   1.71251   1.74017
 Alpha virt. eigenvalues --    1.74110   1.77567   1.79184   1.81735   1.82105
 Alpha virt. eigenvalues --    1.83648   1.83876   1.84859   1.86616   1.87211
 Alpha virt. eigenvalues --    1.88652   1.89567   1.95078   1.96237   1.97155
 Alpha virt. eigenvalues --    1.97708   1.98477   2.00038   2.01549   2.03265
 Alpha virt. eigenvalues --    2.03417   2.05142   2.05207   2.05671   2.07867
 Alpha virt. eigenvalues --    2.09403   2.10415   2.11773   2.11966   2.13516
 Alpha virt. eigenvalues --    2.14390   2.16238   2.16477   2.18758   2.19230
 Alpha virt. eigenvalues --    2.20234   2.21467   2.22755   2.24539   2.25143
 Alpha virt. eigenvalues --    2.27161   2.27566   2.29011   2.29905   2.31608
 Alpha virt. eigenvalues --    2.32089   2.33226   2.36422   2.36834   2.38636
 Alpha virt. eigenvalues --    2.39319   2.40603   2.41863   2.42056   2.44097
 Alpha virt. eigenvalues --    2.45386   2.47010   2.47691   2.49854   2.51541
 Alpha virt. eigenvalues --    2.52714   2.54438   2.55616   2.58256   2.59670
 Alpha virt. eigenvalues --    2.62368   2.64695   2.64939   2.68136   2.68750
 Alpha virt. eigenvalues --    2.69688   2.71414   2.73536   2.75082   2.76095
 Alpha virt. eigenvalues --    2.76747   2.79338   2.79576   2.80907   2.82717
 Alpha virt. eigenvalues --    2.84124   2.87388   2.90478   2.90866   2.96685
 Alpha virt. eigenvalues --    3.03009   3.06344   3.08123   3.09876   3.14396
 Alpha virt. eigenvalues --    3.15347   3.17540   3.18765   3.22443   3.23617
 Alpha virt. eigenvalues --    3.25585   3.26855   3.27458   3.28645   3.29410
 Alpha virt. eigenvalues --    3.32429   3.36142   3.37105   3.41592   3.42808
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.913508   0.139775   0.134138   0.319927  -0.295428   0.194178
     2  C    0.139775   6.650024   0.230387  -0.230622  -0.009899  -0.018517
     3  C    0.134138   0.230387   5.019495   0.104121   0.094790  -0.121522
     4  C    0.319927  -0.230622   0.104121   7.051259  -1.682329   0.791305
     5  C   -0.295428  -0.009899   0.094790  -1.682329  15.566194  -1.489615
     6  C    0.194178  -0.018517  -0.121522   0.791305  -1.489615   7.608321
     7  C   -0.145307  -0.171798  -0.178841  -0.303480   0.001406  -0.353496
     8  H    0.222474   0.113194  -0.151045   0.019300  -0.002980   0.040358
     9  C   -0.002740   0.109626   0.005097  -0.001418   0.074931   0.028856
    10  H   -0.084930   0.271513   0.063874   0.001176  -0.129168  -0.285792
    11  H    0.023228  -0.001760  -0.388825   0.062924  -0.568433  -0.022986
    12  C    0.013196  -0.180794  -0.217349   0.169803  -2.336825   0.171346
    13  C    0.008434   0.116357   0.067424  -0.155491  -0.243693  -0.230457
    14  H    0.039382  -0.369708  -0.035777   0.084275  -0.997333  -0.318728
    15  H    0.029614   0.142208   0.131206  -0.036002  -0.139657   0.056464
    16  H   -0.080515  -0.206089  -0.247708   0.029420   0.328209  -0.032558
    17  H    0.014417   0.012506  -0.044439  -0.034108  -0.060900  -0.015417
    18  H    0.008169   0.005153  -0.001875   0.068554   0.143983   0.005348
    19  H   -0.005729  -0.008276   0.012779  -0.004880   0.288509   0.040167
    20  H    0.001501   0.001747   0.001197  -0.120425   0.578612  -0.138050
    21  H   -0.000354   0.004913  -0.004363   0.041157   0.130337   0.033598
    22  H    0.000484  -0.006427   0.000534   0.033655   0.128836   0.063356
    23  H    0.049827  -0.067165   0.069023  -0.064281  -0.046271  -0.043785
    24  H    0.134523  -0.036209   0.111506   0.091085   0.098743  -0.002495
    25  H   -0.107558   0.038755   0.365973  -0.180671   0.019907  -0.019360
    26  H   -0.024676   0.202587   0.007560   0.000152   0.010023  -0.072000
    27  H   -0.001142   0.145886  -0.003757   0.005058  -0.009152   0.053876
    28  H    0.023061   0.080617   0.002130   0.003060   0.023515  -0.030230
               7          8          9         10         11         12
     1  C   -0.145307   0.222474  -0.002740  -0.084930   0.023228   0.013196
     2  C   -0.171798   0.113194   0.109626   0.271513  -0.001760  -0.180794
     3  C   -0.178841  -0.151045   0.005097   0.063874  -0.388825  -0.217349
     4  C   -0.303480   0.019300  -0.001418   0.001176   0.062924   0.169803
     5  C    0.001406  -0.002980   0.074931  -0.129168  -0.568433  -2.336825
     6  C   -0.353496   0.040358   0.028856  -0.285792  -0.022986   0.171346
     7  C    5.696708   0.041315  -0.028050   0.029137   0.115348   0.229337
     8  H    0.041315   2.101104   0.007361  -0.201542   0.004631  -0.003408
     9  C   -0.028050   0.007361   4.514196  -0.223086  -0.002790   0.005741
    10  H    0.029137  -0.201542  -0.223086   1.792041  -0.001174  -0.063423
    11  H    0.115348   0.004631  -0.002790  -0.001174   2.400871   0.237445
    12  C    0.229337  -0.003408   0.005741  -0.063423   0.237445   6.886341
    13  C   -0.202226   0.001853  -0.000519   0.019520  -0.122972  -0.673844
    14  H    0.087108  -0.000388  -0.109468   0.083424   0.050948   0.234095
    15  H   -0.125789  -0.004939   0.012061   0.001923  -0.163819   0.000277
    16  H   -0.116441   0.025587  -0.016792  -0.013481   0.107717  -0.004575
    17  H    0.020686   0.004660   0.006452  -0.090382   0.021425   0.433796
    18  H   -0.012848  -0.001113   0.000064   0.013855   0.021501  -0.058640
    19  H   -0.007468  -0.002304   0.001165  -0.023982  -0.005387  -0.139713
    20  H   -0.016406   0.000039   0.000560   0.000699  -0.043984  -0.044710
    21  H   -0.001741  -0.000013  -0.000537  -0.001875   0.008881   0.046986
    22  H   -0.005052  -0.000056  -0.000238  -0.000024   0.016414   0.042782
    23  H    0.000194  -0.621899  -0.054638   0.047895  -0.008269  -0.007698
    24  H   -0.021998   0.136643  -0.000272  -0.011455  -0.046707   0.001397
    25  H    0.024811  -0.234177   0.002115   0.034387  -0.040961  -0.049951
    26  H    0.008740  -0.015978   0.108500   0.000013   0.000282   0.000179
    27  H   -0.002714   0.013608   0.168304   0.023843  -0.000068  -0.000699
    28  H   -0.004890   0.009002   0.252269  -0.049289  -0.000316  -0.002244
              13         14         15         16         17         18
     1  C    0.008434   0.039382   0.029614  -0.080515   0.014417   0.008169
     2  C    0.116357  -0.369708   0.142208  -0.206089   0.012506   0.005153
     3  C    0.067424  -0.035777   0.131206  -0.247708  -0.044439  -0.001875
     4  C   -0.155491   0.084275  -0.036002   0.029420  -0.034108   0.068554
     5  C   -0.243693  -0.997333  -0.139657   0.328209  -0.060900   0.143983
     6  C   -0.230457  -0.318728   0.056464  -0.032558  -0.015417   0.005348
     7  C   -0.202226   0.087108  -0.125789  -0.116441   0.020686  -0.012848
     8  H    0.001853  -0.000388  -0.004939   0.025587   0.004660  -0.001113
     9  C   -0.000519  -0.109468   0.012061  -0.016792   0.006452   0.000064
    10  H    0.019520   0.083424   0.001923  -0.013481  -0.090382   0.013855
    11  H   -0.122972   0.050948  -0.163819   0.107717   0.021425   0.021501
    12  C   -0.673844   0.234095   0.000277  -0.004575   0.433796  -0.058640
    13  C    5.994309  -0.128485  -0.028685   0.003963   0.003031   0.011611
    14  H   -0.128485   3.367193  -0.214781   0.136872   0.018267   0.004174
    15  H   -0.028685  -0.214781   3.415321  -1.656835  -0.003846  -0.001131
    16  H    0.003963   0.136872  -1.656835   3.346028   0.005848  -0.000891
    17  H    0.003031   0.018267  -0.003846   0.005848   1.184547  -0.149164
    18  H    0.011611   0.004174  -0.001131  -0.000891  -0.149164   0.981186
    19  H    0.000508   0.005257   0.000897  -0.001484  -0.169566  -0.085137
    20  H    0.272467  -0.054309  -0.055773   0.015394  -0.003772   0.000047
    21  H   -0.151543   0.016124   0.003973   0.001788   0.009046  -0.010154
    22  H   -0.152128   0.010559  -0.003383   0.002896   0.009433  -0.005980
    23  H   -0.000947  -0.016426   0.017030  -0.092269   0.003076   0.000480
    24  H   -0.000064  -0.000114  -0.006588   0.011510  -0.005158  -0.000693
    25  H    0.000694  -0.003088   0.005138  -0.005991  -0.006479  -0.011514
    26  H   -0.000151  -0.008158   0.015491  -0.051556  -0.000318   0.000018
    27  H   -0.000042   0.025354  -0.001655   0.005102   0.000139   0.000057
    28  H    0.000431  -0.105406   0.000691   0.001029  -0.000730  -0.000076
              19         20         21         22         23         24
     1  C   -0.005729   0.001501  -0.000354   0.000484   0.049827   0.134523
     2  C   -0.008276   0.001747   0.004913  -0.006427  -0.067165  -0.036209
     3  C    0.012779   0.001197  -0.004363   0.000534   0.069023   0.111506
     4  C   -0.004880  -0.120425   0.041157   0.033655  -0.064281   0.091085
     5  C    0.288509   0.578612   0.130337   0.128836  -0.046271   0.098743
     6  C    0.040167  -0.138050   0.033598   0.063356  -0.043785  -0.002495
     7  C   -0.007468  -0.016406  -0.001741  -0.005052   0.000194  -0.021998
     8  H   -0.002304   0.000039  -0.000013  -0.000056  -0.621899   0.136643
     9  C    0.001165   0.000560  -0.000537  -0.000238  -0.054638  -0.000272
    10  H   -0.023982   0.000699  -0.001875  -0.000024   0.047895  -0.011455
    11  H   -0.005387  -0.043984   0.008881   0.016414  -0.008269  -0.046707
    12  C   -0.139713  -0.044710   0.046986   0.042782  -0.007698   0.001397
    13  C    0.000508   0.272467  -0.151543  -0.152128  -0.000947  -0.000064
    14  H    0.005257  -0.054309   0.016124   0.010559  -0.016426  -0.000114
    15  H    0.000897  -0.055773   0.003973  -0.003383   0.017030  -0.006588
    16  H   -0.001484   0.015394   0.001788   0.002896  -0.092269   0.011510
    17  H   -0.169566  -0.003772   0.009046   0.009433   0.003076  -0.005158
    18  H   -0.085137   0.000047  -0.010154  -0.005980   0.000480  -0.000693
    19  H    0.950083  -0.001839  -0.005742  -0.010850   0.001125   0.000027
    20  H   -0.001839   1.004446  -0.136211  -0.139491   0.000128   0.000288
    21  H   -0.005742  -0.136211   0.903797  -0.045671  -0.000083  -0.000200
    22  H   -0.010850  -0.139491  -0.045671   0.914044  -0.000012  -0.000677
    23  H    0.001125   0.000128  -0.000083  -0.000012   1.760743  -0.227785
    24  H    0.000027   0.000288  -0.000200  -0.000677  -0.227785   1.304339
    25  H    0.005396   0.000600  -0.000438  -0.001157   0.092058  -0.324109
    26  H    0.000035  -0.000051  -0.000107  -0.000022   0.050386  -0.000045
    27  H    0.000036   0.000006   0.000004   0.000004  -0.070627   0.000192
    28  H   -0.000083  -0.000047  -0.000178   0.000003   0.004272   0.000024
              25         26         27         28
     1  C   -0.107558  -0.024676  -0.001142   0.023061
     2  C    0.038755   0.202587   0.145886   0.080617
     3  C    0.365973   0.007560  -0.003757   0.002130
     4  C   -0.180671   0.000152   0.005058   0.003060
     5  C    0.019907   0.010023  -0.009152   0.023515
     6  C   -0.019360  -0.072000   0.053876  -0.030230
     7  C    0.024811   0.008740  -0.002714  -0.004890
     8  H   -0.234177  -0.015978   0.013608   0.009002
     9  C    0.002115   0.108500   0.168304   0.252269
    10  H    0.034387   0.000013   0.023843  -0.049289
    11  H   -0.040961   0.000282  -0.000068  -0.000316
    12  C   -0.049951   0.000179  -0.000699  -0.002244
    13  C    0.000694  -0.000151  -0.000042   0.000431
    14  H   -0.003088  -0.008158   0.025354  -0.105406
    15  H    0.005138   0.015491  -0.001655   0.000691
    16  H   -0.005991  -0.051556   0.005102   0.001029
    17  H   -0.006479  -0.000318   0.000139  -0.000730
    18  H   -0.011514   0.000018   0.000057  -0.000076
    19  H    0.005396   0.000035   0.000036  -0.000083
    20  H    0.000600  -0.000051   0.000006  -0.000047
    21  H   -0.000438  -0.000107   0.000004  -0.000178
    22  H   -0.001157  -0.000022   0.000004   0.000003
    23  H    0.092058   0.050386  -0.070627   0.004272
    24  H   -0.324109  -0.000045   0.000192   0.000024
    25  H    1.245933  -0.000008  -0.000607  -0.000238
    26  H   -0.000008   0.919910  -0.055785  -0.091474
    27  H   -0.000607  -0.055785   0.883859  -0.134885
    28  H   -0.000238  -0.091474  -0.134885   0.915544
 Mulliken charges:
               1
     1  C    0.478543
     2  C   -0.957982
     3  C    0.974266
     4  C   -0.062526
     5  C   -3.476314
     6  C    0.107833
     7  C    1.443753
     8  H   -0.501286
     9  C    1.143249
    10  H   -0.203696
    11  H   -0.653165
    12  C    1.311150
    13  C    1.590646
    14  H   -0.800861
    15  H   -0.389412
    16  H   -0.494177
    17  H   -0.163050
    18  H    0.075018
    19  H    0.166458
    20  H   -0.122665
    21  H    0.158606
    22  H    0.148165
    23  H    0.225916
    24  H   -0.205707
    25  H    0.150540
    26  H   -0.003544
    27  H   -0.044195
    28  H    0.104437
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.203174
     2  C   -1.161678
     3  C    0.919099
     4  C   -0.715691
     5  C   -3.476314
     6  C   -0.693028
     7  C    0.560163
     9  C    1.199948
    12  C    1.389575
    13  C    1.774751
 Electronic spatial extent (au):  <R**2>=           1433.2157
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0027    Y=              0.0737    Z=              0.0973  Tot=              0.1221
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -65.7816   YY=            -65.4288   ZZ=            -65.2932
   XY=             -0.2847   XZ=             -0.2389   YZ=             -0.1545
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.2804   YY=              0.0724   ZZ=              0.2080
   XY=             -0.2847   XZ=             -0.2389   YZ=             -0.1545
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.8933  YYY=             -1.1276  ZZZ=             -0.7342  XYY=              0.8868
  XXY=              2.9515  XXZ=              0.1557  XZZ=             -1.0860  YZZ=              0.0010
  YYZ=              0.9433  XYZ=              0.2822
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1074.7069 YYYY=           -524.3494 ZZZZ=           -435.9841 XXXY=              2.8827
 XXXZ=             -1.3126 YYYX=             -0.3515 YYYZ=             -4.9026 ZZZX=             -4.3624
 ZZZY=              1.0772 XXYY=           -267.8778 XXZZ=           -245.9506 YYZZ=           -155.9946
 XXYZ=             -0.3125 YYXZ=              0.3105 ZZXY=             -4.3463
 N-N= 5.951708560182D+02 E-N=-2.093190904655D+03  KE= 3.861425625159D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul 22 19:21:17 2021, MaxMem= 17179869184 cpu:               2.8 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.35382624D-04 3.45650446D-02 3.94025167D-02
 Polarizability= 1.22105360D+02-1.24919004D-01 1.09054775D+02
                 6.28409595D-01-1.15229645D-01 1.05096169D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.3277   -0.3314       -0.0783   -0.0639
 2      0.3277    0.3314        0.0755    0.0734       -6.6837   -6.6974
 3      0.0783    0.0639        8.6688    8.6791       -0.0742   -0.0734
 4     -0.0755   -0.0734       -0.0000    0.0000        0.0667    0.0639
 5     -1.9851   -1.9817       -0.0667   -0.0639       -0.3261   -0.3314
 6      0.0742    0.0734        0.3261    0.3314        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.9942    0.9942       -0.1917   -0.1917
 2     -0.2203   -0.2203       -0.0000    0.0000       -0.1917   -0.1917
 3     -0.2203   -0.2203        0.9942    0.9942       -0.0000    0.0000
 4      0.9942    0.9942        0.2203    0.2203      -20.0922  -20.0922
 5      0.1917    0.1917       26.0374   26.0374       -0.2203   -0.2203
 6     -5.9452   -5.9452       -0.1917   -0.1917       -0.9942   -0.9942
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1438    0.0000        1.0924    1.3256       -0.1752    0.2556
 2     -1.6584   -1.3256       -0.3720   -0.2937       26.6988   26.7896
 3      0.2101   -0.2556      -34.5146  -34.7165        0.3362    0.2937
 4      0.2227    0.2937        0.0569    0.0000       -0.1391   -0.2556
 5      7.8959    7.9270        0.0661    0.2556        1.4815    1.3256
 6     -0.2852   -0.2937       -1.5119   -1.3256       -0.0594    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.3076    0.0000        5.9534    6.3671       -4.0847   -4.4767
 2     -6.9356   -6.3671        8.1542    8.3412        5.9494    6.1497
 3      4.6039    4.4767       -6.8622   -6.9027       -8.2741   -8.3412
 4     -8.5758   -8.3412        0.6127    0.0000        4.2235    4.4767
 5      0.3281    0.7529       -4.7503   -4.4767        6.2632    6.3671
 6      8.8448    8.3412       -6.6645   -6.3671       -0.1489    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -17.3587  -17.0613       23.3918   23.5378       13.8048   13.7103
 2    -25.4229  -24.7177       29.6059   29.7593       13.8073   13.7103
 3    -25.2652  -24.7177       23.5129   23.5378       15.0033   15.3459
 4     -7.0130   -6.2215        7.6162    7.6564       -5.2730   -4.9838
 5      2.1729    1.6356        0.6048    1.1531       -7.3952   -7.6564
 6      3.0738    3.8307       -2.3196   -1.6356        5.8453    6.2215
 Full mass-weighted force constant matrix:
 Low frequencies ---  -13.2126  -11.2057   -0.0006   -0.0002    0.0001    3.8994
 Low frequencies ---  126.9817  176.3350  201.2294
 Diagonal vibrational polarizability:
        1.2012686       1.1302383       1.1523327
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --    126.9788               176.3320               201.2291
 Red. masses --      2.1940                 1.7878                 1.3296
 Frc consts  --      0.0208                 0.0328                 0.0317
 IR Inten    --      0.0066                 0.0218                 0.0116
 RamAct Fr= 1--      0.3091                 0.5283                 0.1210
  Dep-P Fr= 1--      0.6229                 0.7392                 0.7419
  Dep-U Fr= 1--      0.7676                 0.8500                 0.8518
 Alpha2 Fr= 1--      0.0007                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0395                 0.0748                 0.0172
 AlphaG Fr= 1--     -0.0018                 0.0008                 0.0001
 Gamma2 Fr= 1--     -0.1313                 0.0234                -0.0281
 Delta2 Fr= 1--      0.0522                -0.0643                -0.0086
 Raman1 Fr= 1--       1.237                  2.113                  0.484
 ROA1   Fr= 1--     -10.935                  0.187                 -2.972
 CID1   Fr= 1--      -8.843                  0.088                 -6.142
 Raman2 Fr= 1--       0.475                  0.898                  0.206
 ROA2   Fr= 1--      -3.570                  1.076                 -0.605
 CID2   Fr= 1--      -7.521                  1.198                 -2.934
 Raman3 Fr= 1--       0.949                  1.796                  0.412
 ROA3   Fr= 1--     -10.935                  0.187                 -2.972
 CID3   Fr= 1--     -11.520                  0.104                 -7.210
 RC180  Fr= 1--       0.535                  0.700                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.00   0.20    -0.05   0.00  -0.07     0.02  -0.02   0.02
     2   6     0.00  -0.05   0.02    -0.05   0.02   0.00     0.02  -0.02  -0.01
     3   6     0.01  -0.02  -0.03    -0.00  -0.01   0.07     0.01  -0.00   0.00
     4   6    -0.02  -0.04  -0.04    -0.01  -0.01   0.04     0.02   0.01  -0.01
     5   6    -0.00   0.01  -0.00     0.02   0.00   0.02    -0.01   0.00  -0.02
     6   6     0.01  -0.03   0.04    -0.01   0.01   0.08    -0.00   0.01  -0.06
     7   6    -0.05  -0.06   0.02    -0.02  -0.02   0.06     0.02   0.04  -0.04
     8   1     0.31  -0.04   0.35    -0.18   0.03  -0.15     0.05  -0.03   0.05
     9   6    -0.01   0.05  -0.18    -0.01  -0.01  -0.10    -0.00  -0.02   0.06
    10   1    -0.07  -0.20   0.02    -0.13   0.06   0.02     0.07  -0.04  -0.03
    11   1    -0.04  -0.06  -0.08    -0.03  -0.00   0.02     0.03   0.03   0.01
    12   6    -0.01   0.10  -0.03     0.15   0.06  -0.01    -0.04   0.06  -0.03
    13   6     0.01   0.01   0.02    -0.03  -0.04  -0.05    -0.03  -0.06   0.06
    14   1     0.03  -0.03   0.06    -0.02   0.01   0.10     0.01   0.01  -0.09
    15   1    -0.08  -0.07  -0.00    -0.02  -0.03   0.06     0.02   0.04  -0.04
    16   1    -0.08  -0.07   0.06    -0.02  -0.04   0.06     0.03   0.07  -0.05
    17   1    -0.06   0.03  -0.04     0.05  -0.21   0.13    -0.15  -0.14   0.01
    18   1    -0.07   0.20  -0.08    -0.03   0.35  -0.19    -0.19   0.29  -0.09
    19   1     0.10   0.15   0.02     0.56   0.12  -0.03     0.22   0.12  -0.01
    20   1     0.00  -0.03   0.03    -0.05   0.04  -0.07     0.17   0.27  -0.05
    21   1     0.03   0.04   0.06    -0.08  -0.10  -0.12    -0.34  -0.28  -0.18
    22   1    -0.00   0.03  -0.01     0.01  -0.11  -0.00     0.06  -0.26   0.47
    23   1    -0.12   0.13   0.38     0.06  -0.04  -0.18    -0.01   0.01   0.05
    24   1    -0.09  -0.10  -0.09     0.07   0.08   0.14    -0.01  -0.01   0.00
    25   1     0.09   0.09  -0.14    -0.02  -0.12   0.15     0.01   0.01  -0.01
    26   1     0.07   0.23  -0.19     0.15  -0.09  -0.13    -0.13   0.04   0.09
    27   1    -0.03   0.01  -0.18    -0.08   0.03  -0.25     0.05  -0.08   0.19
    28   1    -0.08   0.00  -0.34    -0.04   0.01  -0.00     0.06  -0.04  -0.02
                      4                      5                      6
                      A                      A                      A
 Frequencies --    214.0535               230.2849               260.6062
 Red. masses --      1.9155                 1.3070                 1.1319
 Frc consts  --      0.0517                 0.0408                 0.0453
 IR Inten    --      0.0129                 0.0275                 0.0123
 RamAct Fr= 1--      0.3347                 0.3205                 0.0707
  Dep-P Fr= 1--      0.7259                 0.6236                 0.5240
  Dep-U Fr= 1--      0.8412                 0.7681                 0.6876
 Alpha2 Fr= 1--      0.0001                 0.0007                 0.0003
 Beta2  Fr= 1--      0.0469                 0.0410                 0.0081
 AlphaG Fr= 1--      0.0010                 0.0053                -0.0003
 Gamma2 Fr= 1--     -0.0344                -0.0657                -0.0152
 Delta2 Fr= 1--      0.0022                -0.0875                 0.0230
 Raman1 Fr= 1--       1.339                  1.282                  0.283
 ROA1   Fr= 1--      -3.237                 -9.102                 -0.723
 CID1   Fr= 1--      -2.418                 -7.100                 -2.556
 Raman2 Fr= 1--       0.563                  0.492                  0.097
 ROA2   Fr= 1--      -0.844                 -0.876                 -0.549
 CID2   Fr= 1--      -1.498                 -1.779                 -5.642
 Raman3 Fr= 1--       1.126                  0.985                  0.195
 ROA3   Fr= 1--      -3.237                 -9.102                 -0.723
 CID3   Fr= 1--      -2.874                 -9.243                 -3.717
 RC180  Fr= 1--       0.682                  0.536                  0.375
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.03    -0.02   0.02   0.01     0.03  -0.01   0.03
     2   6    -0.00   0.01   0.00     0.01   0.03   0.03     0.02  -0.02   0.00
     3   6     0.02  -0.02  -0.01    -0.03   0.02  -0.05     0.02   0.00   0.02
     4   6    -0.02  -0.05  -0.01    -0.01   0.01  -0.01     0.00   0.01  -0.01
     5   6    -0.00  -0.03   0.00     0.01   0.03   0.01    -0.01  -0.01  -0.02
     6   6     0.00  -0.06   0.02     0.01   0.03   0.06    -0.00  -0.00  -0.03
     7   6    -0.01  -0.08   0.01    -0.03  -0.02   0.03    -0.01   0.03  -0.02
     8   1    -0.00   0.02  -0.04     0.03   0.04   0.03     0.05  -0.03   0.06
     9   6    -0.06   0.09   0.02     0.07  -0.03  -0.05     0.01  -0.01   0.02
    10   1    -0.03   0.02   0.01    -0.03   0.04   0.04     0.04  -0.03  -0.01
    11   1    -0.01  -0.08  -0.03    -0.03   0.01  -0.04     0.01   0.00  -0.00
    12   6    -0.04  -0.09   0.03     0.02  -0.04   0.02    -0.05   0.02  -0.02
    13   6     0.10   0.17  -0.04    -0.03  -0.02  -0.03    -0.00  -0.01   0.02
    14   1    -0.02  -0.06   0.05     0.02   0.03   0.09    -0.00  -0.00  -0.07
    15   1    -0.00  -0.09   0.02    -0.05  -0.03   0.03    -0.02   0.04  -0.04
    16   1    -0.02  -0.11   0.01    -0.04  -0.03   0.06    -0.02   0.05  -0.01
    17   1    -0.14  -0.28   0.09     0.14   0.19  -0.03    -0.10  -0.04  -0.03
    18   1    -0.16   0.07   0.06     0.20  -0.30   0.11    -0.10   0.09  -0.02
    19   1     0.14  -0.11  -0.05    -0.29  -0.10   0.01     0.01   0.04  -0.01
    20   1     0.28   0.51  -0.15     0.09   0.32  -0.13    -0.01  -0.08   0.04
    21   1     0.11   0.00  -0.30    -0.27  -0.24  -0.28     0.02   0.03   0.07
    22   1     0.02   0.23   0.27     0.05  -0.20   0.31    -0.01   0.01  -0.03
    23   1     0.04  -0.00  -0.04    -0.05   0.01   0.05     0.01   0.01   0.05
    24   1     0.05   0.01   0.01    -0.05  -0.03  -0.10     0.01   0.01   0.04
    25   1     0.05  -0.06  -0.00    -0.04   0.09  -0.09     0.04  -0.01   0.02
    26   1    -0.04   0.05   0.02     0.23  -0.15  -0.09     0.31  -0.47  -0.06
    27   1    -0.03   0.22  -0.02    -0.02  -0.01  -0.22    -0.08   0.33  -0.40
    28   1    -0.18   0.10   0.09     0.06  -0.00   0.07    -0.20   0.10   0.52
                      7                      8                      9
                      A                      A                      A
 Frequencies --    302.5084               311.9920               384.4003
 Red. masses --      2.0979                 1.7307                 2.4166
 Frc consts  --      0.1131                 0.0993                 0.2104
 IR Inten    --      0.0053                 0.0033                 0.0539
 RamAct Fr= 1--      1.1244                 0.3618                 1.3393
  Dep-P Fr= 1--      0.3073                 0.1817                 0.5197
  Dep-U Fr= 1--      0.4701                 0.3075                 0.6839
 Alpha2 Fr= 1--      0.0113                 0.0052                 0.0060
 Beta2  Fr= 1--      0.0881                 0.0185                 0.1527
 AlphaG Fr= 1--     -0.0157                 0.0152                 0.0002
 Gamma2 Fr= 1--     -0.0416                -0.0748                 0.0224
 Delta2 Fr= 1--      0.1197                -0.0974                -0.0072
 Raman1 Fr= 1--       4.498                  1.447                  5.357
 ROA1   Fr= 1--      -0.162                -10.296                  1.922
 CID1   Fr= 1--      -0.036                 -7.115                  0.359
 Raman2 Fr= 1--       1.057                  0.222                  1.832
 ROA2   Fr= 1--      -1.955                 -1.015                  0.596
 CID2   Fr= 1--      -1.849                 -4.561                  0.325
 Raman3 Fr= 1--       2.114                  0.445                  3.664
 ROA3   Fr= 1--      -0.162                -10.296                  1.922
 CID3   Fr= 1--      -0.077                -23.137                  0.525
 RC180  Fr= 1--      -0.060                 -0.385                  0.368
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.09  -0.02     0.03  -0.03  -0.03    -0.07   0.02   0.02
     2   6     0.02   0.08   0.03     0.01  -0.02   0.01     0.03   0.04   0.01
     3   6     0.09   0.04   0.01     0.07  -0.03   0.15    -0.10   0.02   0.01
     4   6    -0.01  -0.02  -0.04    -0.03  -0.01  -0.05    -0.10   0.04  -0.09
     5   6    -0.03  -0.01  -0.01     0.01   0.01  -0.05     0.03   0.04  -0.08
     6   6    -0.02   0.02   0.04     0.01  -0.02   0.00     0.02   0.03  -0.02
     7   6    -0.10  -0.02   0.02    -0.07  -0.03  -0.00    -0.06  -0.02  -0.04
     8   1     0.03   0.13  -0.04    -0.15  -0.02  -0.13    -0.08  -0.00   0.03
     9   6     0.16  -0.10  -0.02    -0.00   0.02  -0.02     0.04   0.06  -0.01
    10   1    -0.01   0.11   0.04    -0.00  -0.01   0.02     0.04   0.04   0.01
    11   1     0.00  -0.09  -0.10    -0.07  -0.02  -0.11    -0.18   0.09  -0.17
    12   6    -0.13  -0.06   0.01    -0.05   0.10  -0.06     0.08  -0.12  -0.05
    13   6    -0.02   0.01  -0.01     0.03   0.01   0.03     0.10  -0.05   0.19
    14   1    -0.07   0.02   0.08     0.03  -0.02   0.02     0.01   0.03   0.01
    15   1    -0.16  -0.04  -0.02    -0.08  -0.02  -0.02     0.00  -0.01  -0.00
    16   1    -0.13  -0.01   0.08    -0.10  -0.07   0.02    -0.08  -0.12  -0.06
    17   1    -0.27  -0.32   0.05     0.07   0.37  -0.20     0.08  -0.26   0.13
    18   1    -0.30   0.16   0.09     0.12  -0.15  -0.02     0.06  -0.10   0.00
    19   1     0.09  -0.08  -0.07    -0.38   0.11   0.04     0.20  -0.23  -0.23
    20   1    -0.07  -0.07   0.02     0.12   0.07   0.01     0.30  -0.24   0.23
    21   1     0.05   0.06   0.05    -0.05  -0.03  -0.00    -0.06   0.07   0.40
    22   1    -0.05   0.06  -0.10     0.03  -0.01   0.15     0.10  -0.06   0.27
    23   1     0.07   0.10  -0.04     0.18  -0.06  -0.17    -0.08  -0.02   0.03
    24   1     0.13   0.12   0.07     0.13   0.18   0.36    -0.11   0.09   0.09
    25   1     0.15  -0.06   0.04     0.14  -0.28   0.27    -0.04  -0.06   0.04
    26   1     0.15  -0.07  -0.02    -0.01   0.09  -0.02     0.06   0.08  -0.01
    27   1     0.06  -0.36   0.02     0.01   0.01   0.01     0.03   0.08  -0.03
    28   1     0.42  -0.10  -0.11    -0.03  -0.00  -0.09     0.00   0.05  -0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    390.0107               430.4381               451.9905
 Red. masses --      2.2832                 2.0798                 2.9778
 Frc consts  --      0.2046                 0.2270                 0.3584
 IR Inten    --      0.0136                 0.2588                 0.0651
 RamAct Fr= 1--      2.1250                 0.1144                 1.3970
  Dep-P Fr= 1--      0.1597                 0.4793                 0.7300
  Dep-U Fr= 1--      0.2754                 0.6480                 0.8439
 Alpha2 Fr= 1--      0.0320                 0.0006                 0.0005
 Beta2  Fr= 1--      0.0976                 0.0124                 0.1965
 AlphaG Fr= 1--      0.0068                 0.0004                -0.0015
 Gamma2 Fr= 1--      0.2488                 0.0486                -0.1448
 Delta2 Fr= 1--      0.1240                 0.0039                -0.0807
 Raman1 Fr= 1--       8.500                  0.457                  5.588
 ROA1   Fr= 1--      27.850                  4.788                -16.479
 CID1   Fr= 1--       3.277                 10.466                 -2.949
 Raman2 Fr= 1--       1.171                  0.148                  2.358
 ROA2   Fr= 1--       4.979                  1.135                 -2.829
 CID2   Fr= 1--       4.253                  7.660                 -1.200
 Raman3 Fr= 1--       2.341                  0.296                  4.716
 ROA3   Fr= 1--      27.850                  4.788                -16.479
 CID3   Fr= 1--      11.895                 16.151                 -3.494
 RC180  Fr= 1--      -0.449                  0.296                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.09  -0.04    -0.02   0.06   0.08    -0.14   0.07   0.04
     2   6     0.13  -0.04   0.05    -0.03   0.04  -0.05    -0.01   0.11   0.05
     3   6    -0.07   0.02   0.00     0.00  -0.00   0.07    -0.11  -0.02   0.05
     4   6    -0.04   0.06  -0.01    -0.04   0.02  -0.06    -0.01  -0.03   0.10
     5   6     0.03   0.07  -0.00    -0.03   0.07  -0.01     0.08  -0.14  -0.05
     6   6     0.11  -0.01   0.04     0.01   0.02   0.01    -0.02  -0.00   0.01
     7   6     0.02  -0.03   0.03     0.18  -0.14  -0.06     0.07  -0.00   0.02
     8   1    -0.15  -0.09  -0.13     0.08   0.01   0.17    -0.13   0.07   0.05
     9   6     0.06   0.14  -0.01    -0.01  -0.03   0.02     0.07   0.05  -0.00
    10   1     0.10  -0.04   0.05    -0.01   0.01  -0.06    -0.01   0.12   0.05
    11   1    -0.08   0.08  -0.05    -0.06   0.07  -0.03    -0.04   0.07   0.15
    12   6    -0.11  -0.02   0.03    -0.01  -0.00   0.00    -0.10   0.03  -0.12
    13   6    -0.08  -0.06  -0.08    -0.08   0.01  -0.04     0.17  -0.10  -0.08
    14   1     0.19  -0.01   0.09     0.03   0.02   0.15    -0.20  -0.01  -0.00
    15   1     0.05   0.02   0.02     0.42  -0.17   0.18     0.19  -0.01   0.13
    16   1    -0.01  -0.13   0.04     0.26  -0.34  -0.33     0.14  -0.02  -0.12
    17   1    -0.24  -0.19   0.00     0.00  -0.03   0.06    -0.21   0.08  -0.40
    18   1    -0.22   0.11   0.19     0.01  -0.04   0.05    -0.17   0.13  -0.09
    19   1    -0.04  -0.06  -0.04    -0.02  -0.06  -0.08    -0.18   0.18   0.12
    20   1    -0.26  -0.11  -0.05    -0.11  -0.00  -0.03     0.22  -0.07  -0.09
    21   1    -0.17  -0.07  -0.06    -0.12   0.01  -0.04     0.23  -0.10  -0.10
    22   1     0.04  -0.21  -0.21    -0.04  -0.04  -0.07     0.12  -0.03  -0.04
    23   1     0.10  -0.26  -0.13    -0.08   0.18   0.13    -0.15   0.03   0.05
    24   1    -0.13   0.02   0.02     0.03   0.16   0.24    -0.03  -0.10  -0.06
    25   1    -0.09   0.02   0.01     0.12  -0.19   0.13    -0.17   0.08   0.02
    26   1     0.10   0.29  -0.00    -0.05  -0.13   0.02     0.14   0.08  -0.02
    27   1     0.13   0.27   0.00    -0.02  -0.04   0.02     0.01  -0.02  -0.05
    28   1    -0.14   0.10  -0.10     0.06   0.00   0.10     0.12   0.05  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    482.0596               526.2842               578.5710
 Red. masses --      3.0696                 2.5742                 3.0690
 Frc consts  --      0.4203                 0.4201                 0.6053
 IR Inten    --      0.3693                 0.2430                 0.7191
 RamAct Fr= 1--      4.0613                 1.4667                 2.1947
  Dep-P Fr= 1--      0.1695                 0.1675                 0.6713
  Dep-U Fr= 1--      0.2898                 0.2869                 0.8033
 Alpha2 Fr= 1--      0.0597                 0.0217                 0.0031
 Beta2  Fr= 1--      0.1962                 0.0701                 0.2939
 AlphaG Fr= 1--      0.0287                 0.0045                 0.0008
 Gamma2 Fr= 1--      0.2625                -0.2390                 0.1816
 Delta2 Fr= 1--      0.1555                -0.1621                 0.1269
 Raman1 Fr= 1--      16.245                  5.867                  8.779
 ROA1   Fr= 1--      30.173                -28.132                 21.493
 CID1   Fr= 1--       1.857                 -4.795                  2.448
 Raman2 Fr= 1--       2.354                  0.842                  3.526
 ROA2   Fr= 1--       5.055                 -4.439                  3.344
 CID2   Fr= 1--       2.147                 -5.275                  0.948
 Raman3 Fr= 1--       4.709                  1.683                  7.052
 ROA3   Fr= 1--      30.173                -28.132                 21.493
 CID3   Fr= 1--       6.408                -16.715                  3.048
 RC180  Fr= 1--      -0.420                 -0.426                  0.607
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.01     0.02  -0.09   0.03     0.12   0.02  -0.01
     2   6     0.13   0.04  -0.02    -0.04  -0.01   0.23    -0.01  -0.08   0.03
     3   6    -0.04   0.03   0.02     0.03  -0.11  -0.03     0.04   0.25   0.00
     4   6    -0.10  -0.06   0.10     0.09  -0.00  -0.05    -0.05   0.11   0.08
     5   6    -0.17  -0.12   0.05    -0.06   0.02  -0.05    -0.05  -0.03  -0.06
     6   6    -0.05  -0.10  -0.11    -0.12   0.10   0.03    -0.00  -0.10   0.05
     7   6     0.00  -0.04  -0.06     0.08   0.06  -0.05     0.03  -0.02   0.13
     8   1    -0.06  -0.06  -0.01    -0.13   0.14  -0.18    -0.09  -0.01  -0.11
     9   6     0.18   0.10  -0.00     0.02   0.01  -0.01    -0.08  -0.07  -0.01
    10   1     0.24   0.04  -0.05    -0.01  -0.06   0.21    -0.09  -0.09   0.04
    11   1     0.01  -0.11   0.20     0.12   0.04   0.04     0.01  -0.03   0.02
    12   6     0.06   0.02   0.00    -0.01  -0.03  -0.07    -0.01  -0.05  -0.17
    13   6    -0.12   0.07   0.05    -0.05   0.06   0.02    -0.01  -0.00   0.01
    14   1    -0.16  -0.11  -0.11    -0.11   0.10  -0.05     0.05  -0.10   0.03
    15   1     0.11   0.07  -0.04     0.13  -0.17   0.18     0.27   0.08   0.27
    16   1     0.03  -0.07  -0.13     0.24   0.15  -0.29     0.08  -0.23  -0.07
    17   1     0.23   0.20   0.12     0.03  -0.05   0.02    -0.00  -0.02  -0.18
    18   1     0.15  -0.05  -0.36     0.01  -0.05  -0.09    -0.01  -0.04  -0.24
    19   1     0.15   0.13   0.14     0.03  -0.08  -0.15     0.01  -0.02  -0.14
    20   1    -0.04   0.13   0.03     0.06   0.04   0.02     0.15  -0.08   0.03
    21   1    -0.01   0.05   0.00    -0.01   0.08   0.05    -0.07   0.05   0.11
    22   1    -0.21   0.18   0.12    -0.12   0.14   0.08    -0.04   0.03   0.11
    23   1     0.03  -0.06  -0.03     0.16  -0.30  -0.11     0.25  -0.07  -0.14
    24   1    -0.00   0.01  -0.02    -0.06  -0.13  -0.02    -0.08   0.07  -0.15
    25   1    -0.03   0.05   0.00     0.03  -0.06  -0.05    -0.01   0.45  -0.10
    26   1     0.24   0.13  -0.01     0.29   0.18  -0.05    -0.08  -0.07  -0.01
    27   1     0.15   0.08  -0.04    -0.12  -0.08  -0.17    -0.08  -0.09   0.00
    28   1     0.18   0.09  -0.04    -0.02  -0.03  -0.17    -0.07  -0.07  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    667.8785               786.9762               790.2816
 Red. masses --      2.6108                 2.1724                 1.8277
 Frc consts  --      0.6861                 0.7927                 0.6725
 IR Inten    --      0.1234                 0.8280                 0.4148
 RamAct Fr= 1--     14.7769                 5.6601                 6.8289
  Dep-P Fr= 1--      0.0103                 0.1025                 0.1500
  Dep-U Fr= 1--      0.0204                 0.1859                 0.2609
 Alpha2 Fr= 1--      0.3206                 0.0985                 0.1056
 Beta2  Fr= 1--      0.0503                 0.1753                 0.2969
 AlphaG Fr= 1--     -0.0112                 0.0066                -0.1686
 Gamma2 Fr= 1--      0.1431                 0.2807                -2.7753
 Delta2 Fr= 1--      0.0656                 0.2011                -2.0166
 Raman1 Fr= 1--      59.108                 22.641                 27.316
 ROA1   Fr= 1--      15.835                 33.379               -330.961
 CID1   Fr= 1--       0.268                  1.474                -12.116
 Raman2 Fr= 1--       0.603                  2.104                  3.563
 ROA2   Fr= 1--       2.908                  5.127                -50.475
 CID2   Fr= 1--       4.821                  2.437                -14.168
 Raman3 Fr= 1--       1.207                  4.208                  7.125
 ROA3   Fr= 1--      15.835                 33.379               -330.961
 CID3   Fr= 1--      13.124                  7.932                -46.448
 RC180  Fr= 1--      -0.959                 -0.628                 -0.478
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.01   0.04     0.06  -0.12  -0.07    -0.09   0.06  -0.05
     2   6    -0.01  -0.02   0.08     0.01  -0.01  -0.09     0.01  -0.07   0.11
     3   6    -0.00   0.12  -0.01    -0.02  -0.02  -0.04    -0.02   0.09  -0.08
     4   6    -0.10   0.03  -0.08    -0.01   0.08  -0.07     0.03   0.04  -0.08
     5   6     0.03  -0.04   0.05    -0.03  -0.04   0.01    -0.03  -0.06   0.02
     6   6    -0.09  -0.00  -0.09    -0.12   0.06   0.03     0.05  -0.08   0.02
     7   6    -0.03  -0.01  -0.09    -0.02   0.05   0.17     0.06   0.04  -0.01
     8   1    -0.19   0.09  -0.14     0.37  -0.23   0.15     0.20   0.08   0.09
     9   6    -0.04  -0.03  -0.00     0.07   0.04  -0.01    -0.02  -0.03   0.03
    10   1     0.07  -0.11   0.05    -0.04   0.04  -0.07     0.04   0.05   0.12
    11   1    -0.13  -0.01  -0.18    -0.05   0.01  -0.21     0.11  -0.05  -0.05
    12   6     0.03   0.05   0.21    -0.00  -0.00   0.02    -0.01  -0.02   0.01
    13   6     0.11  -0.07  -0.05     0.03  -0.03  -0.02    -0.01  -0.01   0.01
    14   1    -0.17  -0.01  -0.21    -0.20   0.06  -0.14     0.11  -0.08  -0.04
    15   1     0.16  -0.02   0.09     0.13  -0.13   0.45    -0.04   0.07  -0.12
    16   1     0.06  -0.13  -0.32     0.11  -0.05  -0.13     0.02   0.11   0.11
    17   1     0.01   0.07   0.15     0.01   0.03   0.01     0.03   0.05  -0.00
    18   1     0.01   0.08   0.19    -0.00   0.01  -0.05    -0.00  -0.00  -0.14
    19   1     0.03   0.10   0.30     0.01   0.04   0.08     0.03   0.06   0.11
    20   1     0.03  -0.02  -0.06     0.10   0.00  -0.03    -0.02   0.03  -0.01
    21   1     0.18  -0.12  -0.12     0.14  -0.03  -0.04     0.07  -0.03  -0.04
    22   1     0.13  -0.09  -0.11    -0.05   0.07   0.01    -0.05   0.05   0.00
    23   1     0.23  -0.17  -0.14    -0.18   0.06   0.17    -0.32   0.06   0.16
    24   1    -0.13   0.10   0.01    -0.05   0.15   0.16     0.16   0.44   0.24
    25   1     0.11   0.13  -0.08    -0.09  -0.21   0.11    -0.01  -0.34   0.18
    26   1     0.09   0.01  -0.03    -0.07  -0.03   0.02     0.18   0.17  -0.01
    27   1    -0.12  -0.11  -0.09     0.15   0.09   0.09    -0.08   0.01  -0.10
    28   1    -0.01  -0.05  -0.06     0.09   0.06   0.07    -0.21  -0.10  -0.15
                     19                     20                     21
                      A                      A                      A
 Frequencies --    831.0843               862.9291               888.2313
 Red. masses --      2.2147                 2.3821                 2.1386
 Frc consts  --      0.9013                 1.0451                 0.9941
 IR Inten    --      0.5753                 0.6841                 0.7077
 RamAct Fr= 1--      2.5791                 9.1280                 3.7265
  Dep-P Fr= 1--      0.1515                 0.6642                 0.3032
  Dep-U Fr= 1--      0.2631                 0.7982                 0.4653
 Alpha2 Fr= 1--      0.0397                 0.0139                 0.0379
 Beta2  Fr= 1--      0.1131                 1.2144                 0.2890
 AlphaG Fr= 1--      0.0348                 0.1150                 0.0274
 Gamma2 Fr= 1--     -0.0552                 6.8160                -2.5876
 Delta2 Fr= 1--      0.1596                 3.3290                -0.9166
 Raman1 Fr= 1--      10.316                 36.512                 14.906
 ROA1   Fr= 1--      -0.190                760.861               -277.738
 CID1   Fr= 1--      -0.018                 20.839                -18.633
 Raman2 Fr= 1--       1.357                 14.572                  3.468
 ROA2   Fr= 1--      -2.601                136.951                -54.769
 CID2   Fr= 1--      -1.916                  9.398                -15.792
 Raman3 Fr= 1--       2.714                 29.145                  6.936
 ROA3   Fr= 1--      -0.190                760.861               -277.738
 CID3   Fr= 1--      -0.070                 26.106                -40.042
 RC180  Fr= 1--      -0.474                  0.596                 -0.069
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.05   0.07     0.11  -0.02   0.02    -0.12   0.09   0.08
     2   6     0.02  -0.00  -0.05    -0.03   0.07  -0.01     0.04  -0.04  -0.03
     3   6    -0.03   0.13   0.04    -0.04  -0.08  -0.01     0.05  -0.04  -0.01
     4   6     0.16   0.05  -0.08    -0.12   0.03  -0.07    -0.04  -0.06  -0.10
     5   6    -0.04  -0.08   0.03    -0.05  -0.11   0.04     0.05  -0.05   0.03
     6   6     0.01   0.13   0.02     0.12   0.03   0.14     0.05   0.03  -0.05
     7   6    -0.01  -0.11  -0.05     0.05   0.11  -0.08     0.04   0.07   0.15
     8   1    -0.29  -0.14   0.00     0.04   0.07  -0.07    -0.38   0.15  -0.09
     9   6     0.01   0.00  -0.02    -0.04   0.01  -0.03     0.02  -0.03  -0.02
    10   1     0.01  -0.12  -0.06    -0.20   0.05   0.02     0.05  -0.17  -0.04
    11   1     0.26  -0.00   0.01    -0.18   0.12  -0.07    -0.20  -0.10  -0.38
    12   6    -0.01  -0.03  -0.00    -0.02  -0.05  -0.00     0.01  -0.03  -0.02
    13   6    -0.01  -0.03   0.01    -0.01  -0.04   0.01    -0.07   0.03   0.04
    14   1    -0.01   0.13   0.14     0.17   0.03   0.35    -0.01   0.03  -0.28
    15   1    -0.30  -0.38  -0.11     0.09   0.33  -0.20     0.13   0.09   0.22
    16   1    -0.09  -0.03   0.15    -0.02   0.07   0.03     0.08   0.00   0.04
    17   1     0.03   0.05  -0.04     0.03   0.08  -0.06    -0.02  -0.00  -0.12
    18   1    -0.01   0.00  -0.19    -0.02   0.00  -0.27    -0.01   0.01  -0.05
    19   1     0.05   0.08   0.14     0.06   0.11   0.21     0.00   0.03   0.07
    20   1     0.03   0.10  -0.03     0.05   0.06  -0.02    -0.15   0.12   0.02
    21   1     0.24  -0.05  -0.07     0.22  -0.06  -0.06     0.04  -0.01  -0.05
    22   1    -0.17   0.18   0.03    -0.15   0.15   0.05    -0.10   0.08  -0.01
    23   1     0.06  -0.14  -0.05     0.18  -0.04  -0.05     0.11  -0.05  -0.15
    24   1    -0.20   0.09   0.07    -0.19  -0.06   0.06     0.08  -0.10  -0.09
    25   1    -0.05   0.18   0.02     0.09  -0.09  -0.08     0.23   0.02  -0.15
    26   1    -0.14  -0.06   0.01    -0.17  -0.16  -0.00    -0.14  -0.01   0.01
    27   1     0.12   0.10   0.08    -0.02  -0.08   0.07     0.17   0.17   0.08
    28   1    -0.03   0.02   0.07     0.15   0.06   0.11    -0.17  -0.03   0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --    906.5927               931.4419               952.0107
 Red. masses --      2.1038                 2.0777                 1.5605
 Frc consts  --      1.0188                 1.0620                 0.8333
 IR Inten    --      0.3266                 0.2165                 0.9709
 RamAct Fr= 1--      1.1882                 4.6970                 4.5417
  Dep-P Fr= 1--      0.7482                 0.4177                 0.7130
  Dep-U Fr= 1--      0.8560                 0.5893                 0.8324
 Alpha2 Fr= 1--      0.0000                 0.0326                 0.0029
 Beta2  Fr= 1--      0.1695                 0.4613                 0.6301
 AlphaG Fr= 1--     -0.0002                -0.0221                 0.0008
 Gamma2 Fr= 1--      0.2850                -4.5644                 0.3008
 Delta2 Fr= 1--     -0.1545                -2.6934                 0.2828
 Raman1 Fr= 1--       4.753                 18.788                 18.167
 ROA1   Fr= 1--      22.419               -524.374                 37.924
 CID1   Fr= 1--       4.717                -27.910                  2.088
 Raman2 Fr= 1--       2.034                  5.536                  7.561
 ROA2   Fr= 1--       8.077                -88.000                  4.956
 CID2   Fr= 1--       3.971                -15.896                  0.655
 Raman3 Fr= 1--       4.068                 11.072                 15.123
 ROA3   Fr= 1--      22.419               -524.374                 37.924
 CID3   Fr= 1--       5.511                -47.361                  2.508
 RC180  Fr= 1--       0.712                  0.179                  0.665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04  -0.05    -0.07  -0.04   0.04     0.01   0.03   0.03
     2   6     0.07  -0.09   0.01    -0.03  -0.04  -0.04     0.01  -0.00  -0.00
     3   6     0.05   0.01  -0.02     0.02   0.10  -0.00    -0.01  -0.03  -0.03
     4   6    -0.07  -0.05   0.09    -0.00  -0.10  -0.04    -0.01  -0.00   0.01
     5   6    -0.04  -0.00   0.00    -0.03   0.04  -0.02    -0.09   0.05   0.04
     6   6     0.03   0.16   0.08    -0.08  -0.11   0.12     0.00   0.02  -0.03
     7   6    -0.10   0.02  -0.10     0.05   0.09  -0.05     0.02  -0.01   0.05
     8   1     0.11   0.01   0.04    -0.21  -0.19   0.05    -0.07   0.11  -0.06
     9   6     0.02  -0.07  -0.02     0.08   0.04  -0.02    -0.00  -0.00  -0.01
    10   1     0.01  -0.05   0.02    -0.21  -0.07  -0.00     0.05  -0.09  -0.02
    11   1     0.01  -0.06   0.20     0.07  -0.25  -0.09     0.02   0.02   0.08
    12   6    -0.01  -0.00   0.00     0.01   0.06   0.01    -0.11   0.03  -0.04
    13   6     0.02  -0.03  -0.02     0.03  -0.02  -0.03     0.11  -0.04   0.01
    14   1     0.17   0.16   0.17    -0.05  -0.12   0.28     0.03   0.02  -0.04
    15   1     0.16  -0.07   0.21     0.04   0.12  -0.09    -0.05  -0.03   0.01
    16   1     0.02  -0.10  -0.39     0.19   0.43  -0.12    -0.01  -0.00   0.12
    17   1     0.01   0.01   0.02    -0.01  -0.08   0.15     0.20   0.09   0.52
    18   1    -0.00  -0.01  -0.04     0.05  -0.04   0.23     0.11  -0.21  -0.36
    19   1     0.01   0.01   0.02    -0.06  -0.13  -0.25     0.15  -0.12  -0.33
    20   1     0.14  -0.04  -0.03     0.11  -0.05  -0.02    -0.17   0.07  -0.01
    21   1     0.07  -0.00   0.01     0.01   0.00   0.01     0.15  -0.16  -0.16
    22   1    -0.04   0.04   0.04     0.02  -0.01   0.02     0.21  -0.15  -0.19
    23   1    -0.12   0.07   0.04    -0.01  -0.05  -0.02     0.07  -0.06  -0.04
    24   1     0.28  -0.00  -0.11     0.01   0.10   0.01     0.01   0.03   0.02
    25   1     0.02  -0.01   0.01     0.12   0.05  -0.03     0.06  -0.10  -0.02
    26   1    -0.12   0.11   0.02    -0.12  -0.06   0.02    -0.05  -0.03  -0.00
    27   1     0.25   0.30   0.09     0.21   0.12   0.14     0.02   0.01   0.02
    28   1    -0.41  -0.12  -0.04     0.10   0.08   0.13    -0.00   0.00   0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --    966.3209               969.1494              1011.2833
 Red. masses --      1.5736                 1.6870                 1.5167
 Frc consts  --      0.8658                 0.9335                 0.9139
 IR Inten    --      1.5741                 0.5026                 0.0983
 RamAct Fr= 1--      2.1310                 2.1761                 1.8361
  Dep-P Fr= 1--      0.5910                 0.7416                 0.5212
  Dep-U Fr= 1--      0.7430                 0.8517                 0.6852
 Alpha2 Fr= 1--      0.0063                 0.0003                 0.0082
 Beta2  Fr= 1--      0.2639                 0.3089                 0.2097
 AlphaG Fr= 1--      0.0109                -0.0017                 0.0062
 Gamma2 Fr= 1--     -1.7084                 3.1981                -0.8995
 Delta2 Fr= 1--     -1.4003                 2.2849                 0.0166
 Raman1 Fr= 1--       8.524                  8.704                  7.344
 ROA1   Fr= 1--    -208.818                380.139                -85.823
 CID1   Fr= 1--     -24.498                 43.673                -11.685
 Raman2 Fr= 1--       3.167                  3.706                  2.516
 ROA2   Fr= 1--     -29.800                 58.476                -21.721
 CID2   Fr= 1--      -9.411                 15.777                 -8.632
 Raman3 Fr= 1--       6.333                  7.413                  5.033
 ROA3   Fr= 1--    -208.818                380.139                -85.823
 CID3   Fr= 1--     -32.973                 51.280                -17.054
 RC180  Fr= 1--       0.486                  0.703                  0.370
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.04  -0.03    -0.00   0.07   0.03     0.07   0.06  -0.02
     2   6    -0.04   0.01  -0.01     0.01  -0.02   0.00     0.06   0.01  -0.03
     3   6     0.09  -0.02   0.08    -0.01  -0.06  -0.03    -0.07  -0.01   0.03
     4   6     0.04   0.05  -0.05     0.02   0.05   0.01    -0.02  -0.03  -0.00
     5   6    -0.05  -0.00  -0.05    -0.09   0.01  -0.10    -0.01  -0.00   0.00
     6   6     0.04  -0.03  -0.00     0.01  -0.02  -0.01    -0.04   0.01  -0.00
     7   6    -0.02   0.02   0.01     0.03  -0.02   0.06     0.05  -0.01   0.02
     8   1    -0.00  -0.21   0.11    -0.09   0.23  -0.10     0.04   0.04  -0.02
     9   6     0.01   0.00   0.05     0.02  -0.00  -0.02    -0.03  -0.06   0.02
    10   1     0.07   0.27  -0.00    -0.02  -0.15  -0.01     0.22   0.07  -0.05
    11   1    -0.04   0.00  -0.23     0.06   0.13   0.16    -0.10   0.09  -0.01
    12   6    -0.04   0.02   0.05    -0.01   0.02   0.10     0.03   0.08  -0.02
    13   6    -0.00  -0.04  -0.02    -0.00  -0.03  -0.12    -0.04  -0.08   0.01
    14   1     0.16  -0.03   0.08     0.05  -0.02  -0.03    -0.07   0.02   0.06
    15   1     0.14   0.18   0.03    -0.09  -0.05  -0.01    -0.10  -0.03  -0.09
    16   1    -0.05  -0.18  -0.04    -0.05  -0.00   0.20     0.02   0.13   0.17
    17   1     0.09   0.06   0.26     0.03   0.06   0.13    -0.07  -0.15   0.05
    18   1     0.03  -0.05  -0.10    -0.00   0.03   0.02     0.03  -0.00   0.38
    19   1     0.08  -0.02  -0.03     0.02   0.06   0.14    -0.12  -0.16  -0.32
    20   1     0.14  -0.01  -0.04     0.56  -0.31  -0.06     0.13   0.12  -0.06
    21   1     0.12  -0.01  -0.02    -0.17   0.19   0.24     0.36  -0.07  -0.08
    22   1    -0.11   0.11   0.04    -0.12   0.07   0.24    -0.31   0.28   0.08
    23   1    -0.08   0.24  -0.00     0.09  -0.06  -0.06     0.08   0.05  -0.03
    24   1    -0.03  -0.32  -0.18     0.02   0.00   0.02    -0.09  -0.02   0.02
    25   1    -0.01   0.34  -0.09     0.06  -0.12  -0.03    -0.04   0.01   0.00
    26   1     0.25   0.18   0.01    -0.12  -0.06   0.00     0.09   0.12  -0.00
    27   1    -0.12  -0.03  -0.13     0.11   0.06   0.07    -0.04   0.04  -0.08
    28   1    -0.07  -0.05  -0.14    -0.00   0.02   0.07    -0.23  -0.12  -0.13
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1014.2616              1027.3514              1057.1050
 Red. masses --      1.9927                 1.4127                 2.1296
 Frc consts  --      1.2078                 0.8785                 1.4021
 IR Inten    --      0.4369                 0.7530                 1.7641
 RamAct Fr= 1--      6.7529                 0.5638                 1.1664
  Dep-P Fr= 1--      0.3878                 0.7129                 0.6485
  Dep-U Fr= 1--      0.5589                 0.8324                 0.7868
 Alpha2 Fr= 1--      0.0522                 0.0004                 0.0021
 Beta2  Fr= 1--      0.6291                 0.0782                 0.1530
 AlphaG Fr= 1--     -0.0616                 0.0034                -0.0011
 Gamma2 Fr= 1--      1.2954                -0.0234                -0.0923
 Delta2 Fr= 1--     -0.1279                -0.2535                 0.4742
 Raman1 Fr= 1--      27.012                  2.255                  4.666
 ROA1   Fr= 1--     120.263                -10.360                  6.310
 CID1   Fr= 1--       4.452                 -4.594                  1.352
 Raman2 Fr= 1--       7.549                  0.939                  1.835
 ROA2   Fr= 1--      32.111                  1.466                 -6.010
 CID2   Fr= 1--       4.254                  1.561                 -3.274
 Raman3 Fr= 1--      15.097                  1.877                  3.671
 ROA3   Fr= 1--     120.263                -10.360                  6.310
 CID3   Fr= 1--       7.966                 -5.519                  1.719
 RC180  Fr= 1--       0.118                  0.665                  0.574
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.11   0.04    -0.04  -0.03   0.02     0.04   0.05  -0.02
     2   6     0.06   0.08  -0.04    -0.04  -0.02   0.03     0.13   0.07   0.03
     3   6     0.03   0.06  -0.05     0.03   0.02  -0.05    -0.10   0.01   0.07
     4   6    -0.07  -0.12   0.03     0.01   0.00   0.04     0.09  -0.11  -0.03
     5   6    -0.02   0.02   0.01    -0.01  -0.00   0.00     0.02  -0.03  -0.07
     6   6     0.02   0.12  -0.03     0.06   0.02  -0.05     0.09  -0.04   0.01
     7   6     0.05   0.00   0.06    -0.05   0.00   0.00    -0.07   0.05   0.01
     8   1    -0.13  -0.29   0.08    -0.01   0.05  -0.01     0.05   0.02   0.01
     9   6    -0.09  -0.01   0.03    -0.01   0.08  -0.01    -0.10  -0.01  -0.05
    10   1     0.33   0.09  -0.09    -0.09  -0.21   0.02    -0.01   0.12   0.06
    11   1     0.03  -0.35  -0.05     0.08  -0.10   0.05     0.07  -0.24  -0.19
    12   6    -0.01  -0.02  -0.00     0.02   0.05  -0.02    -0.04   0.03   0.04
    13   6     0.02   0.01  -0.06    -0.03  -0.06   0.01    -0.03   0.02  -0.01
    14   1    -0.04   0.12   0.14     0.20   0.03  -0.14     0.14  -0.04  -0.14
    15   1     0.03   0.14  -0.05     0.15   0.15   0.07     0.04  -0.22   0.31
    16   1     0.01   0.09   0.19    -0.11  -0.32  -0.05     0.17   0.20  -0.35
    17   1     0.00   0.02  -0.03    -0.05  -0.10   0.03     0.08   0.06   0.25
    18   1    -0.02   0.01  -0.06     0.03  -0.01   0.23     0.04  -0.06  -0.09
    19   1     0.01   0.03   0.06    -0.07  -0.10  -0.21     0.07  -0.02  -0.05
    20   1     0.21  -0.17  -0.01     0.08   0.10  -0.04     0.03  -0.03  -0.00
    21   1    -0.17   0.10   0.13     0.26  -0.06  -0.06    -0.09   0.05   0.04
    22   1     0.04  -0.05   0.10    -0.22   0.20   0.05    -0.04   0.02   0.03
    23   1    -0.02  -0.16   0.04    -0.09  -0.17   0.05    -0.04  -0.08   0.05
    24   1     0.08   0.17   0.04     0.18   0.10  -0.02    -0.10  -0.03   0.02
    25   1     0.16  -0.12  -0.01    -0.05  -0.11   0.07    -0.33   0.08   0.14
    26   1     0.16   0.04  -0.02    -0.04  -0.18  -0.01    -0.20  -0.20  -0.04
    27   1    -0.28  -0.18  -0.17    -0.11  -0.18   0.03    -0.12  -0.16   0.02
    28   1     0.02  -0.04  -0.12     0.36   0.15   0.12     0.09   0.03   0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1075.7647              1103.1734              1110.7312
 Red. masses --      1.4522                 1.6305                 1.3373
 Frc consts  --      0.9902                 1.1691                 0.9721
 IR Inten    --      0.2279                 1.5978                 1.4193
 RamAct Fr= 1--      7.7872                 5.3679                 1.3992
  Dep-P Fr= 1--      0.5165                 0.4481                 0.5487
  Dep-U Fr= 1--      0.6812                 0.6189                 0.7086
 Alpha2 Fr= 1--      0.0355                 0.0332                 0.0054
 Beta2  Fr= 1--      0.8841                 0.5537                 0.1652
 AlphaG Fr= 1--      0.0164                -0.0245                 0.0333
 Gamma2 Fr= 1--     -0.1700                 1.9405                -2.7034
 Delta2 Fr= 1--      0.7165                 1.1341                -1.6052
 Raman1 Fr= 1--      31.149                 21.472                  5.597
 ROA1   Fr= 1--       6.604                222.581               -310.894
 CID1   Fr= 1--       0.212                 10.366                -55.550
 Raman2 Fr= 1--      10.609                  6.644                  1.983
 ROA2   Fr= 1--      -9.812                 37.500                -52.041
 CID2   Fr= 1--      -0.925                  5.644                -26.244
 Raman3 Fr= 1--      21.218                 13.288                  3.966
 ROA3   Fr= 1--       6.604                222.581               -310.894
 CID3   Fr= 1--       0.311                 16.751                -78.390
 RC180  Fr= 1--       0.362                  0.238                  0.417
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03   0.03    -0.05  -0.01   0.06    -0.01   0.05   0.00
     2   6     0.07   0.09   0.02     0.10   0.04  -0.06     0.04  -0.06  -0.04
     3   6     0.03  -0.03  -0.03     0.04  -0.03  -0.07    -0.00  -0.02  -0.01
     4   6     0.06   0.06   0.01    -0.00   0.08  -0.01     0.04   0.03   0.03
     5   6     0.01  -0.03  -0.03     0.00  -0.02  -0.01     0.01   0.06  -0.01
     6   6    -0.04  -0.04   0.00     0.01  -0.09   0.06    -0.07  -0.02  -0.01
     7   6    -0.03  -0.00  -0.01    -0.06   0.05  -0.00    -0.03  -0.03   0.01
     8   1     0.02   0.14  -0.04    -0.26  -0.24   0.07    -0.02   0.10  -0.04
     9   6    -0.02  -0.06  -0.05    -0.06  -0.01   0.00    -0.02   0.04   0.02
    10   1     0.13  -0.04  -0.01     0.12   0.19  -0.04     0.28  -0.31  -0.12
    11   1     0.09  -0.09  -0.11     0.07   0.38   0.41    -0.21   0.11  -0.26
    12   6    -0.00   0.02   0.01     0.01   0.01  -0.00    -0.01  -0.05   0.01
    13   6    -0.00   0.02   0.01    -0.00  -0.00   0.02     0.00  -0.02   0.01
    14   1    -0.43  -0.05   0.34    -0.05  -0.09   0.02     0.19  -0.01   0.49
    15   1     0.22   0.44  -0.12    -0.07  -0.27   0.22     0.04   0.07   0.00
    16   1    -0.13  -0.28   0.02     0.03   0.01  -0.20     0.12   0.24  -0.11
    17   1     0.01  -0.01   0.07    -0.02  -0.03  -0.02     0.02   0.07  -0.09
    18   1     0.02  -0.01   0.06    -0.00   0.01   0.08    -0.04   0.03  -0.14
    19   1    -0.01  -0.03  -0.06    -0.03  -0.01  -0.02     0.05   0.08   0.17
    20   1    -0.08   0.01   0.02    -0.07   0.05   0.01    -0.01   0.06  -0.01
    21   1    -0.04  -0.01  -0.02     0.05  -0.04  -0.04     0.10  -0.03  -0.04
    22   1     0.03  -0.03  -0.02    -0.00   0.00  -0.04    -0.04   0.04  -0.02
    23   1    -0.06  -0.20   0.05     0.06  -0.05  -0.05    -0.02  -0.10   0.00
    24   1     0.03   0.02   0.02     0.13   0.05  -0.01     0.21  -0.01  -0.07
    25   1    -0.17  -0.05   0.10     0.35  -0.15  -0.16    -0.15  -0.02   0.08
    26   1    -0.22  -0.04  -0.01     0.04  -0.03  -0.02     0.12  -0.05  -0.01
    27   1     0.12   0.11   0.06    -0.15  -0.12  -0.07    -0.15  -0.14  -0.06
    28   1    -0.21  -0.06   0.02     0.03  -0.02  -0.06     0.17   0.05  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1126.7536              1180.1803              1193.5164
 Red. masses --      1.5369                 2.0135                 1.9676
 Frc consts  --      1.1496                 1.6523                 1.6514
 IR Inten    --      0.2296                 0.9376                 2.6898
 RamAct Fr= 1--      5.0272                 2.7928                 7.4761
  Dep-P Fr= 1--      0.6066                 0.6670                 0.6177
  Dep-U Fr= 1--      0.7551                 0.8003                 0.7637
 Alpha2 Fr= 1--      0.0133                 0.0041                 0.0181
 Beta2  Fr= 1--      0.6327                 0.3725                 0.9516
 AlphaG Fr= 1--      0.0123                -0.0506                 0.0565
 Gamma2 Fr= 1--     -1.9192                -0.2366                 1.6737
 Delta2 Fr= 1--     -1.0524                -0.5885                 0.8302
 Raman1 Fr= 1--      20.109                 11.171                 29.904
 ROA1   Fr= 1--    -217.922                -41.549                187.239
 CID1   Fr= 1--     -10.837                 -3.719                  6.261
 Raman2 Fr= 1--       7.592                  4.470                 11.419
 ROA2   Fr= 1--     -37.642                 -0.971                 33.526
 CID2   Fr= 1--      -4.958                 -0.217                  2.936
 Raman3 Fr= 1--      15.184                  8.940                 22.838
 ROA3   Fr= 1--    -217.922                -41.549                187.239
 CID3   Fr= 1--     -14.352                 -4.648                  8.199
 RC180  Fr= 1--       0.510                  0.601                  0.527
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.06     0.04  -0.06   0.08    -0.05  -0.02  -0.03
     2   6     0.06   0.02   0.09    -0.10   0.09  -0.01     0.07   0.06   0.09
     3   6     0.06   0.04   0.03    -0.01   0.02  -0.08     0.05  -0.03   0.04
     4   6    -0.06   0.01   0.02     0.03  -0.00   0.10    -0.04   0.02  -0.03
     5   6     0.04  -0.01  -0.04     0.09   0.07  -0.05    -0.11   0.12   0.02
     6   6    -0.02   0.02  -0.00     0.03  -0.04  -0.07    -0.03  -0.03  -0.09
     7   6     0.07  -0.04  -0.02    -0.05  -0.07   0.02    -0.00  -0.04   0.04
     8   1     0.08  -0.20   0.08    -0.11  -0.04  -0.01     0.11   0.06   0.01
     9   6    -0.03   0.01  -0.07     0.05  -0.05   0.00    -0.02  -0.02  -0.08
    10   1    -0.07  -0.02   0.11    -0.26   0.35   0.05     0.07   0.20   0.10
    11   1    -0.36   0.34  -0.10    -0.18   0.07  -0.15     0.23  -0.22   0.15
    12   6    -0.03   0.01   0.02    -0.04  -0.02   0.02     0.06  -0.05  -0.01
    13   6    -0.03  -0.01   0.01    -0.05  -0.05   0.01     0.04  -0.05   0.02
    14   1    -0.21   0.01  -0.13     0.19  -0.03  -0.06     0.36  -0.02   0.06
    15   1    -0.16  -0.15  -0.15     0.06   0.08  -0.00     0.01   0.04   0.00
    16   1     0.03   0.17   0.18     0.16   0.30  -0.16     0.11   0.23  -0.00
    17   1     0.05   0.05   0.13     0.07   0.11   0.07    -0.06  -0.02  -0.30
    18   1     0.02  -0.04  -0.09    -0.01  -0.02  -0.18    -0.10   0.15   0.08
    19   1     0.06   0.00  -0.01     0.10   0.05   0.08    -0.09   0.07   0.19
    20   1     0.01   0.04  -0.01     0.06   0.12  -0.04     0.01   0.07  -0.02
    21   1     0.04   0.00   0.01     0.18  -0.02  -0.01     0.21  -0.10  -0.10
    22   1    -0.08   0.07   0.02    -0.20   0.17   0.02     0.03  -0.00  -0.09
    23   1    -0.19  -0.07   0.10     0.14  -0.07  -0.02    -0.10   0.04   0.03
    24   1     0.38  -0.08  -0.21     0.06   0.19   0.07    -0.27  -0.11   0.07
    25   1     0.06   0.11  -0.01     0.05  -0.19   0.02     0.14   0.10  -0.09
    26   1    -0.23  -0.18  -0.03    -0.03   0.16   0.03    -0.27  -0.14  -0.03
    27   1     0.04  -0.05   0.11     0.16   0.20   0.01     0.10   0.02   0.10
    28   1     0.08   0.06   0.12    -0.22  -0.08  -0.01    -0.04   0.03   0.10
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1227.7599              1233.1765              1240.2200
 Red. masses --      1.8132                 1.4208                 2.2432
 Frc consts  --      1.6104                 1.2730                 2.0329
 IR Inten    --      0.3166                 1.4882                 1.4598
 RamAct Fr= 1--      4.7055                 2.7869                 1.9406
  Dep-P Fr= 1--      0.7485                 0.6454                 0.2887
  Dep-U Fr= 1--      0.8561                 0.7845                 0.4481
 Alpha2 Fr= 1--      0.0001                 0.0052                 0.0206
 Beta2  Fr= 1--      0.6714                 0.3644                 0.1449
 AlphaG Fr= 1--      0.0009                -0.0183                -0.0211
 Gamma2 Fr= 1--      1.2026                -0.8631                -0.7882
 Delta2 Fr= 1--      0.1758                 0.1431                -0.0891
 Raman1 Fr= 1--      18.822                 11.148                  7.762
 ROA1   Fr= 1--     121.080                -78.274                -78.521
 CID1   Fr= 1--       6.433                 -7.022                -10.115
 Raman2 Fr= 1--       8.057                  4.373                  1.739
 ROA2   Fr= 1--      27.457                -21.858                -18.205
 CID2   Fr= 1--       3.408                 -4.999                -10.468
 Raman3 Fr= 1--      16.114                  8.745                  3.478
 ROA3   Fr= 1--     121.080                -78.274                -78.521
 CID3   Fr= 1--       7.514                 -8.950                -22.576
 RC180  Fr= 1--       0.712                  0.569                 -0.104
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.05  -0.02    -0.05  -0.04  -0.03    -0.02   0.01   0.04
     2   6     0.03  -0.05   0.01    -0.01  -0.02  -0.03     0.05   0.01  -0.03
     3   6    -0.06  -0.00   0.01     0.06   0.01   0.01     0.04  -0.04  -0.01
     4   6     0.01  -0.08  -0.04    -0.06   0.04  -0.00     0.03   0.05   0.02
     5   6     0.09   0.16  -0.06     0.09  -0.00   0.00    -0.04   0.12   0.23
     6   6    -0.05  -0.01   0.07     0.07   0.01   0.02     0.02  -0.05   0.08
     7   6     0.01   0.02  -0.00    -0.04  -0.06   0.01    -0.02  -0.01  -0.08
     8   1    -0.09  -0.21   0.07     0.23   0.38  -0.11    -0.04   0.07  -0.01
     9   6    -0.01   0.01  -0.00    -0.01   0.02   0.02    -0.01  -0.00   0.00
    10   1    -0.01  -0.01   0.02     0.11  -0.23  -0.07    -0.05   0.13   0.01
    11   1     0.26  -0.10   0.32     0.15  -0.07   0.21    -0.14  -0.08  -0.39
    12   6    -0.04  -0.07   0.03    -0.03   0.01  -0.00     0.00  -0.03  -0.06
    13   6    -0.03  -0.05   0.02    -0.03  -0.01  -0.01     0.01  -0.04  -0.08
    14   1    -0.32  -0.01  -0.23    -0.37  -0.01  -0.01    -0.29  -0.07  -0.51
    15   1     0.14   0.29  -0.09     0.03   0.04  -0.00    -0.03  -0.05  -0.08
    16   1    -0.14  -0.30   0.10     0.18   0.39  -0.15    -0.02   0.01  -0.09
    17   1     0.09   0.17  -0.04     0.03   0.03   0.10    -0.04  -0.02  -0.18
    18   1    -0.06   0.03  -0.24     0.04  -0.07  -0.07    -0.03   0.02  -0.15
    19   1     0.13   0.09   0.20     0.07  -0.02  -0.06    -0.05  -0.05  -0.09
    20   1     0.05   0.14  -0.04     0.05   0.02  -0.02     0.30  -0.14  -0.06
    21   1     0.19  -0.03  -0.02     0.03   0.03   0.04     0.05   0.10   0.12
    22   1    -0.15   0.14  -0.01    -0.10   0.08   0.06    -0.05   0.00   0.16
    23   1     0.05   0.12  -0.04    -0.10   0.02   0.02     0.01  -0.10  -0.00
    24   1     0.01   0.00  -0.01    -0.35  -0.02   0.14     0.05  -0.03  -0.01
    25   1     0.07  -0.03  -0.04     0.15   0.10  -0.09    -0.22   0.03   0.10
    26   1     0.01  -0.04  -0.01     0.07  -0.00   0.00     0.01  -0.01  -0.00
    27   1    -0.03  -0.05   0.00    -0.05  -0.04  -0.02    -0.04  -0.03  -0.02
    28   1     0.05   0.02  -0.00     0.05   0.01  -0.02    -0.01  -0.01  -0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1252.6331              1268.4988              1301.0037
 Red. masses --      1.5828                 1.5510                 1.8904
 Frc consts  --      1.4633                 1.4704                 1.8852
 IR Inten    --      1.3783                 1.5234                 2.2020
 RamAct Fr= 1--      2.9999                 2.8531                 6.0865
  Dep-P Fr= 1--      0.3364                 0.5975                 0.4749
  Dep-U Fr= 1--      0.5034                 0.7480                 0.6440
 Alpha2 Fr= 1--      0.0275                 0.0081                 0.0336
 Beta2  Fr= 1--      0.2517                 0.3557                 0.6533
 AlphaG Fr= 1--      0.0861                 0.0116                -0.0183
 Gamma2 Fr= 1--     -0.0173                 0.1212                 0.6379
 Delta2 Fr= 1--     -0.5886                 0.6247                 0.0138
 Raman1 Fr= 1--      12.000                 11.412                 24.346
 ROA1   Fr= 1--     -20.494                 31.625                 61.680
 CID1   Fr= 1--      -1.708                  2.771                  2.533
 Raman2 Fr= 1--       3.020                  4.268                  7.839
 ROA2   Fr= 1--       4.294                 -2.089                 15.199
 CID2   Fr= 1--       1.422                 -0.489                  1.939
 Raman3 Fr= 1--       6.041                  8.537                 15.678
 ROA3   Fr= 1--     -20.494                 31.625                 61.680
 CID3   Fr= 1--      -3.393                  3.705                  3.934
 RC180  Fr= 1--       0.007                  0.496                  0.288
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.04  -0.05     0.03   0.04   0.01    -0.03  -0.00   0.02
     2   6     0.04  -0.05   0.07     0.00  -0.02  -0.00     0.05  -0.07  -0.01
     3   6    -0.04  -0.02  -0.03    -0.01  -0.02  -0.00    -0.00  -0.03  -0.05
     4   6     0.07   0.01   0.04     0.01   0.03  -0.05     0.01   0.07   0.15
     5   6     0.06  -0.05   0.09    -0.08  -0.04  -0.03    -0.08   0.00  -0.14
     6   6    -0.05   0.03  -0.04     0.03   0.06   0.05     0.03   0.03   0.06
     7   6    -0.04  -0.04  -0.00    -0.05  -0.14   0.04     0.03  -0.01  -0.05
     8   1    -0.10  -0.32   0.11    -0.15  -0.26   0.08    -0.01   0.05  -0.00
     9   6    -0.01   0.02  -0.04    -0.01   0.00   0.01    -0.02   0.03   0.00
    10   1     0.03   0.07   0.09    -0.06  -0.01   0.01    -0.05   0.14   0.04
    11   1    -0.11   0.12  -0.13     0.09   0.09   0.13    -0.09  -0.39  -0.47
    12   6    -0.03   0.03  -0.03     0.03   0.01   0.01     0.03  -0.00   0.03
    13   6    -0.02   0.02  -0.04     0.03   0.02   0.01     0.03  -0.01   0.05
    14   1     0.11   0.03   0.14    -0.07   0.06  -0.34    -0.29   0.02  -0.15
    15   1     0.14   0.27  -0.07     0.22   0.48  -0.17    -0.07  -0.16  -0.03
    16   1     0.00  -0.00  -0.06     0.19   0.42  -0.09    -0.02   0.02   0.06
    17   1     0.00  -0.02   0.07    -0.04  -0.06  -0.02     0.00  -0.00  -0.01
    18   1     0.04  -0.07  -0.03    -0.01   0.04   0.11    -0.04   0.08   0.09
    19   1     0.04  -0.05  -0.15    -0.08  -0.01   0.01    -0.06   0.03   0.09
    20   1     0.09  -0.10  -0.01    -0.09  -0.03   0.03    -0.16   0.10   0.02
    21   1    -0.09   0.09   0.09    -0.05  -0.04  -0.06    -0.00  -0.10  -0.10
    22   1    -0.02  -0.01   0.11     0.08  -0.05  -0.05     0.01   0.04  -0.13
    23   1     0.07   0.35  -0.09     0.05  -0.01  -0.02     0.18   0.34  -0.14
    24   1    -0.35   0.08   0.20     0.22  -0.03  -0.10    -0.18   0.05   0.11
    25   1     0.38  -0.08  -0.21    -0.19  -0.01   0.08     0.11  -0.11  -0.06
    26   1    -0.09  -0.11  -0.02     0.04   0.01   0.00     0.04  -0.07  -0.01
    27   1     0.02  -0.06   0.07    -0.02  -0.02  -0.00    -0.05  -0.07   0.02
    28   1     0.07   0.05   0.07     0.02   0.00  -0.01     0.09   0.03  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1323.1731              1332.6604              1350.7865
 Red. masses --      1.3851                 1.6423                 1.4411
 Frc consts  --      1.4288                 1.7184                 1.5492
 IR Inten    --      0.1637                 1.1869                 0.0926
 RamAct Fr= 1--      4.3627                 2.7545                 2.1168
  Dep-P Fr= 1--      0.6917                 0.6639                 0.6637
  Dep-U Fr= 1--      0.8177                 0.7980                 0.7978
 Alpha2 Fr= 1--      0.0045                 0.0042                 0.0033
 Beta2  Fr= 1--      0.5946                 0.3663                 0.2815
 AlphaG Fr= 1--      0.0009                 0.0053                -0.0008
 Gamma2 Fr= 1--      4.8015                -2.3953                -0.9662
 Delta2 Fr= 1--      3.0645                -1.2883                -0.8147
 Raman1 Fr= 1--      17.451                 11.018                  8.467
 ROA1   Fr= 1--     559.006               -271.171               -118.829
 CID1   Fr= 1--      32.033                -24.612                -14.034
 Raman2 Fr= 1--       7.135                  4.396                  3.378
 ROA2   Fr= 1--      90.720                -47.180                -16.672
 CID2   Fr= 1--      12.715                -10.732                 -4.936
 Raman3 Fr= 1--      14.270                  8.792                  6.755
 ROA3   Fr= 1--     559.006               -271.171               -118.829
 CID3   Fr= 1--      39.173                -30.842                -17.590
 RC180  Fr= 1--       0.635                  0.596                  0.596
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.01     0.01   0.00  -0.06    -0.01  -0.09   0.04
     2   6     0.02  -0.01  -0.06    -0.01   0.06  -0.00    -0.01  -0.08   0.00
     3   6     0.03   0.03   0.01    -0.04   0.03   0.04    -0.08   0.05   0.03
     4   6     0.03  -0.05   0.03     0.10  -0.08   0.03     0.05  -0.05  -0.04
     5   6     0.01  -0.03  -0.04    -0.12   0.05  -0.02    -0.04   0.01   0.03
     6   6    -0.10   0.01   0.10     0.08  -0.01  -0.01     0.03   0.01  -0.02
     7   6     0.01  -0.02  -0.02    -0.03   0.01   0.01    -0.02  -0.00   0.02
     8   1     0.13   0.31  -0.09     0.08  -0.03  -0.00     0.17   0.44  -0.16
     9   6    -0.01   0.00  -0.01     0.01  -0.01   0.03    -0.01   0.02  -0.03
    10   1     0.19   0.25  -0.06    -0.20  -0.42  -0.03     0.20   0.48   0.03
    11   1    -0.16   0.21  -0.01    -0.27   0.33  -0.11    -0.05   0.20   0.05
    12   6    -0.01  -0.00   0.00     0.04  -0.01   0.02     0.01  -0.01  -0.00
    13   6     0.01   0.01   0.01     0.03  -0.01   0.01     0.01   0.01  -0.01
    14   1     0.42   0.03  -0.40    -0.30  -0.02  -0.01    -0.21   0.00   0.12
    15   1     0.08   0.19  -0.11     0.08   0.06   0.08     0.07   0.09   0.03
    16   1    -0.06  -0.10   0.05    -0.02  -0.05  -0.05     0.01   0.00  -0.03
    17   1     0.03   0.02   0.05    -0.06  -0.03  -0.14    -0.00   0.00  -0.04
    18   1    -0.01   0.00   0.03    -0.02   0.07  -0.04    -0.03   0.04   0.02
    19   1     0.02   0.02   0.03    -0.10  -0.02   0.03    -0.03  -0.02  -0.02
    20   1    -0.07   0.02   0.01    -0.02   0.01   0.00     0.01  -0.04   0.00
    21   1    -0.06  -0.01  -0.00    -0.01  -0.05  -0.04    -0.01   0.00  -0.01
    22   1     0.02   0.00  -0.02     0.02   0.00  -0.07     0.02  -0.02   0.01
    23   1    -0.16  -0.34   0.09    -0.20  -0.20   0.11     0.15   0.27  -0.06
    24   1    -0.25   0.04   0.13    -0.11   0.03   0.06     0.37   0.03  -0.16
    25   1     0.13   0.04  -0.05     0.43   0.01  -0.20     0.16  -0.01  -0.06
    26   1     0.01  -0.03  -0.02     0.04   0.07   0.03    -0.01  -0.07  -0.03
    27   1     0.01   0.03   0.00    -0.05   0.00  -0.07     0.04  -0.01   0.08
    28   1     0.06   0.01  -0.03    -0.08  -0.04  -0.05     0.10   0.05   0.05
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1359.4811              1376.3828              1391.6089
 Red. masses --      1.3066                 1.4115                 1.4558
 Frc consts  --      1.4228                 1.5754                 1.6611
 IR Inten    --      0.7444                 0.5669                 1.2329
 RamAct Fr= 1--      1.7753                 3.1397                 2.1969
  Dep-P Fr= 1--      0.7060                 0.6975                 0.4771
  Dep-U Fr= 1--      0.8277                 0.8218                 0.6460
 Alpha2 Fr= 1--      0.0014                 0.0029                 0.0120
 Beta2  Fr= 1--      0.2449                 0.4300                 0.2365
 AlphaG Fr= 1--      0.0030                -0.0114                 0.0297
 Gamma2 Fr= 1--      2.0378                -0.6127                 0.8510
 Delta2 Fr= 1--      0.4753                -0.5657                -0.3368
 Raman1 Fr= 1--       7.101                 12.559                  8.788
 ROA1   Fr= 1--     210.838                -76.920                 70.920
 CID1   Fr= 1--      29.690                 -6.125                  8.070
 Raman2 Fr= 1--       2.939                  5.161                  2.839
 ROA2   Fr= 1--      45.105                -10.179                 23.120
 CID2   Fr= 1--      15.349                 -1.973                  8.145
 Raman3 Fr= 1--       5.877                 10.321                  5.677
 ROA3   Fr= 1--     210.838                -76.920                 70.920
 CID3   Fr= 1--      35.873                 -7.453                 12.492
 RC180  Fr= 1--       0.655                  0.644                  0.292
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.00     0.03   0.00  -0.03    -0.05  -0.09   0.01
     2   6    -0.08   0.05   0.05    -0.07   0.04   0.01     0.10   0.10  -0.01
     3   6     0.04   0.02  -0.04    -0.10  -0.02   0.06    -0.04   0.02   0.00
     4   6     0.01  -0.05   0.00     0.01   0.09   0.02     0.00   0.01  -0.01
     5   6    -0.02   0.01  -0.01     0.02  -0.01   0.01     0.01  -0.01   0.00
     6   6     0.04  -0.03   0.05    -0.00  -0.02   0.04    -0.07  -0.01   0.03
     7   6    -0.01   0.02  -0.01    -0.00  -0.01  -0.01     0.00  -0.01  -0.00
     8   1    -0.05  -0.11   0.02     0.03  -0.05   0.00     0.14   0.19  -0.05
     9   6     0.02  -0.01  -0.04     0.01  -0.02  -0.02    -0.04  -0.04   0.03
    10   1     0.68  -0.26  -0.13     0.39  -0.14  -0.10    -0.31  -0.48  -0.01
    11   1    -0.14   0.20   0.03     0.20  -0.37  -0.18     0.03  -0.02   0.00
    12   6     0.00  -0.01  -0.00    -0.01  -0.00  -0.03    -0.00   0.01   0.01
    13   6     0.01  -0.01   0.00    -0.00  -0.00  -0.01    -0.02   0.01   0.00
    14   1     0.01  -0.03  -0.17     0.12  -0.02  -0.16     0.30   0.00  -0.18
    15   1    -0.01  -0.05   0.04    -0.07  -0.03  -0.07     0.01   0.08  -0.07
    16   1    -0.00  -0.02  -0.03     0.03  -0.00  -0.09    -0.00  -0.02   0.00
    17   1     0.02   0.02  -0.02     0.05   0.01   0.09    -0.04  -0.02  -0.02
    18   1    -0.03   0.04   0.02    -0.00  -0.03   0.10     0.04  -0.04  -0.06
    19   1    -0.01   0.00   0.02     0.04   0.06   0.05     0.01  -0.02  -0.02
    20   1    -0.03   0.02  -0.00    -0.03   0.00  -0.00     0.06  -0.03   0.01
    21   1    -0.03  -0.01   0.01    -0.01   0.02   0.03     0.06   0.00  -0.02
    22   1    -0.02   0.03  -0.01    -0.02   0.01   0.05     0.05  -0.07  -0.01
    23   1     0.13   0.37  -0.09    -0.10  -0.16   0.07     0.22   0.49  -0.17
    24   1    -0.13   0.06   0.07     0.34  -0.07  -0.17     0.17   0.00  -0.09
    25   1    -0.25  -0.01   0.12     0.46  -0.06  -0.22     0.05  -0.04  -0.01
    26   1    -0.13   0.03  -0.01    -0.05   0.07  -0.00     0.12   0.12   0.00
    27   1     0.07   0.02   0.04     0.06   0.05   0.02     0.00   0.13  -0.05
    28   1    -0.03   0.03   0.12    -0.02   0.01   0.07     0.10  -0.04  -0.03
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1404.2098              1411.5867              1422.4428
 Red. masses --      1.2616                 1.2346                 1.2177
 Frc consts  --      1.4656                 1.4494                 1.4516
 IR Inten    --      6.5069                 4.4366                 7.0671
 RamAct Fr= 1--      0.5953                 0.2910                 0.5214
  Dep-P Fr= 1--      0.1927                 0.1977                 0.0884
  Dep-U Fr= 1--      0.3231                 0.3301                 0.1625
 Alpha2 Fr= 1--      0.0082                 0.0040                 0.0094
 Beta2  Fr= 1--      0.0321                 0.0160                 0.0141
 AlphaG Fr= 1--      0.0089                -0.0004                -0.0013
 Gamma2 Fr= 1--      0.1557                -0.0363                 0.0268
 Delta2 Fr= 1--     -0.0268                 0.0711                 0.0323
 Raman1 Fr= 1--       2.381                  1.164                  2.086
 ROA1   Fr= 1--      14.086                 -1.204                  3.605
 CID1   Fr= 1--       5.916                 -1.035                  1.728
 Raman2 Fr= 1--       0.385                  0.192                  0.169
 ROA2   Fr= 1--       3.950                 -1.439                  0.385
 CID2   Fr= 1--      10.269                 -7.489                  2.274
 Raman3 Fr= 1--       0.769                  0.384                  0.339
 ROA3   Fr= 1--      14.086                 -1.204                  3.605
 CID3   Fr= 1--      18.309                 -3.134                 10.639
 RC180  Fr= 1--      -0.354                 -0.340                 -0.675
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00     0.01   0.02  -0.01     0.00   0.00  -0.00
     2   6     0.03   0.01  -0.00    -0.00  -0.01   0.01    -0.00  -0.01  -0.00
     3   6     0.00   0.01  -0.00     0.01  -0.01  -0.00     0.01   0.01  -0.00
     4   6     0.01  -0.01  -0.01     0.00  -0.00  -0.00     0.01  -0.01   0.01
     5   6    -0.01   0.01   0.03    -0.01   0.01   0.00    -0.01   0.01   0.00
     6   6    -0.00  -0.00  -0.01     0.02  -0.00  -0.02     0.02  -0.00   0.00
     7   6    -0.00   0.00   0.01    -0.00   0.01   0.00    -0.01  -0.00  -0.01
     8   1     0.03   0.03  -0.00    -0.05  -0.06   0.01    -0.02  -0.01  -0.00
     9   6     0.01   0.01   0.01    -0.11  -0.07  -0.03    -0.01  -0.00   0.00
    10   1    -0.15  -0.06   0.02     0.01   0.04   0.01    -0.02  -0.00   0.00
    11   1    -0.02   0.06   0.02    -0.01   0.02   0.00    -0.05   0.05  -0.02
    12   6    -0.01  -0.02  -0.10     0.00  -0.00  -0.01    -0.02  -0.02  -0.09
    13   6     0.08  -0.05  -0.03     0.02  -0.01  -0.01    -0.08   0.05   0.02
    14   1    -0.01  -0.00   0.01    -0.08  -0.01   0.05    -0.07  -0.00  -0.00
    15   1    -0.02   0.02  -0.02    -0.02  -0.02   0.01     0.06  -0.01   0.06
    16   1     0.02  -0.03  -0.05     0.00  -0.02  -0.02    -0.03   0.03   0.06
    17   1     0.19  -0.00   0.32     0.01  -0.00   0.02     0.17   0.00   0.29
    18   1    -0.05  -0.04   0.41    -0.01   0.01   0.03    -0.04  -0.06   0.39
    19   1     0.08   0.27   0.33    -0.01   0.02   0.03     0.11   0.25   0.30
    20   1    -0.32   0.14  -0.05    -0.06   0.04  -0.01     0.36  -0.15   0.05
    21   1    -0.32   0.06   0.20    -0.06   0.01   0.04     0.37  -0.04  -0.20
    22   1    -0.21   0.29   0.13    -0.05   0.07   0.02     0.23  -0.34  -0.11
    23   1     0.04   0.07  -0.03    -0.06  -0.07   0.04    -0.02  -0.00   0.01
    24   1    -0.01  -0.02  -0.03    -0.06  -0.01   0.03    -0.06  -0.01   0.01
    25   1    -0.04  -0.02   0.03    -0.02   0.01   0.01    -0.01  -0.02   0.02
    26   1    -0.04  -0.03   0.02     0.45   0.30  -0.11     0.04   0.01  -0.01
    27   1    -0.05  -0.04  -0.05     0.30   0.39   0.27     0.01   0.02   0.01
    28   1    -0.06  -0.02  -0.05     0.50   0.07   0.20     0.03   0.00   0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1486.2610              1487.8690              1493.9979
 Red. masses --      1.0566                 1.0579                 1.0630
 Frc consts  --      1.3752                 1.3798                 1.3980
 IR Inten    --      1.2080                 0.9042                 3.9325
 RamAct Fr= 1--      2.1292                 9.7084                 2.6120
  Dep-P Fr= 1--      0.7328                 0.7488                 0.7449
  Dep-U Fr= 1--      0.8458                 0.8564                 0.8538
 Alpha2 Fr= 1--      0.0006                 0.0002                 0.0002
 Beta2  Fr= 1--      0.3002                 1.3857                 0.3717
 AlphaG Fr= 1--     -0.0034                -0.0020                -0.0018
 Gamma2 Fr= 1--      0.9145                -0.3006                -1.0032
 Delta2 Fr= 1--      0.6572                 0.6702                -0.0145
 Raman1 Fr= 1--       8.517                 38.833                 10.448
 ROA1   Fr= 1--     108.824                 -7.406                -96.770
 CID1   Fr= 1--      12.777                 -0.191                 -9.262
 Raman2 Fr= 1--       3.602                 16.628                  4.460
 ROA2   Fr= 1--      16.691                -12.575                -23.961
 CID2   Fr= 1--       4.634                 -0.756                 -5.372
 Raman3 Fr= 1--       7.204                 33.256                  8.920
 ROA3   Fr= 1--     108.824                 -7.406                -96.770
 CID3   Fr= 1--      15.107                 -0.223                -10.848
 RC180  Fr= 1--       0.692                  0.713                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.03   0.01   0.00    -0.04   0.02   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
     3   6    -0.01  -0.02   0.00    -0.00  -0.03  -0.00    -0.01  -0.01  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.00  -0.01  -0.00
     5   6    -0.01   0.01   0.02    -0.00  -0.00  -0.01    -0.01  -0.00   0.00
     6   6    -0.00  -0.01  -0.00     0.01   0.00  -0.00     0.01   0.00  -0.00
     7   6    -0.01  -0.00  -0.02     0.01   0.00   0.02     0.00   0.00   0.02
     8   1    -0.02   0.01  -0.02     0.24  -0.06   0.17     0.35  -0.09   0.25
     9   6     0.00  -0.00  -0.00    -0.00  -0.01   0.01     0.00  -0.01   0.01
    10   1    -0.00  -0.00  -0.00    -0.02  -0.02   0.00     0.06   0.04   0.00
    11   1     0.01  -0.01  -0.01    -0.01   0.01   0.01    -0.01   0.02   0.00
    12   6    -0.04   0.01   0.01    -0.00  -0.03   0.01    -0.00   0.02  -0.00
    13   6     0.02   0.01   0.03     0.00   0.02  -0.02    -0.01  -0.02   0.01
    14   1     0.01  -0.01  -0.01    -0.02   0.00   0.01    -0.03   0.00   0.02
    15   1     0.12  -0.03   0.12    -0.10   0.00  -0.08    -0.10   0.02  -0.09
    16   1    -0.06   0.07   0.14     0.05  -0.05  -0.10     0.05  -0.05  -0.11
    17   1    -0.07   0.15  -0.28     0.20   0.33  -0.03    -0.13  -0.17  -0.03
    18   1     0.13  -0.25   0.20    -0.19   0.23   0.13     0.14  -0.19  -0.01
    19   1     0.47   0.03  -0.08     0.07  -0.11  -0.15     0.06   0.08   0.08
    20   1     0.14  -0.22   0.08    -0.23  -0.27   0.09     0.20   0.31  -0.10
    21   1    -0.29  -0.24  -0.27     0.18  -0.04  -0.14    -0.07   0.10   0.19
    22   1    -0.14   0.26  -0.22    -0.01  -0.03   0.35     0.07  -0.06  -0.29
    23   1    -0.02   0.02   0.02     0.18  -0.15  -0.19     0.27  -0.21  -0.28
    24   1     0.08   0.11   0.10     0.09   0.18   0.16     0.07   0.11   0.09
    25   1    -0.03   0.14  -0.08    -0.05   0.22  -0.12    -0.03   0.14  -0.08
    26   1    -0.02   0.03   0.01    -0.08   0.01   0.02    -0.14  -0.01   0.03
    27   1    -0.01   0.01  -0.03    -0.01   0.10  -0.10    -0.01   0.16  -0.14
    28   1     0.01   0.00   0.02     0.09  -0.01  -0.05     0.15  -0.01  -0.09
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1498.6975              1499.0458              1505.3903
 Red. masses --      1.0529                 1.0533                 1.0693
 Frc consts  --      1.3934                 1.3946                 1.4277
 IR Inten    --      4.2601                 3.5160                 2.1380
 RamAct Fr= 1--      4.3004                 4.2140                15.4438
  Dep-P Fr= 1--      0.7490                 0.6703                 0.7496
  Dep-U Fr= 1--      0.8565                 0.8026                 0.8569
 Alpha2 Fr= 1--      0.0001                 0.0060                 0.0001
 Beta2  Fr= 1--      0.6139                 0.5637                 2.2056
 AlphaG Fr= 1--     -0.0007                 0.0027                 0.0007
 Gamma2 Fr= 1--      3.1907                -1.5801                 1.8118
 Delta2 Fr= 1--      1.9673                -1.4035                -0.8646
 Raman1 Fr= 1--      17.201                 16.856                 61.775
 ROA1   Fr= 1--     369.266               -196.602                146.261
 CID1   Fr= 1--      21.467                -11.664                  2.368
 Raman2 Fr= 1--       7.366                  6.764                 26.467
 ROA2   Fr= 1--      60.839                -26.694                 50.399
 CID2   Fr= 1--       8.259                 -3.946                  1.904
 Raman3 Fr= 1--      14.733                 13.529                 52.935
 ROA3   Fr= 1--     369.266               -196.602                146.261
 CID3   Fr= 1--      25.064                -14.532                  2.763
 RC180  Fr= 1--       0.713                  0.605                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00    -0.01   0.00   0.00     0.01   0.00  -0.00
     2   6    -0.02   0.03  -0.00     0.02  -0.01  -0.02     0.00  -0.01   0.01
     3   6    -0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.01   0.02  -0.00
     4   6     0.00  -0.00   0.00     0.00  -0.01   0.00     0.00  -0.01   0.01
     5   6    -0.01   0.00  -0.00    -0.01   0.00  -0.01    -0.03   0.02  -0.02
     6   6     0.00  -0.00   0.00    -0.00   0.01   0.00     0.01   0.00   0.00
     7   6     0.00   0.00   0.02     0.01   0.00   0.02     0.01   0.00   0.02
     8   1     0.09  -0.03   0.06     0.08   0.02   0.04    -0.09   0.01  -0.05
     9   6    -0.02   0.04  -0.01     0.02  -0.01  -0.04    -0.00  -0.00   0.01
    10   1     0.01  -0.05  -0.02    -0.08   0.01  -0.00     0.03   0.05   0.01
    11   1    -0.01   0.01  -0.00    -0.01   0.01   0.00    -0.02   0.01  -0.01
    12   6    -0.01   0.00   0.00    -0.01   0.01   0.00    -0.02   0.02   0.02
    13   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.03
    14   1     0.02  -0.00  -0.02    -0.00   0.01   0.00    -0.04   0.00  -0.00
    15   1    -0.09   0.01  -0.08    -0.11   0.03  -0.11    -0.14   0.02  -0.13
    16   1     0.04  -0.06  -0.10     0.05  -0.07  -0.11     0.07  -0.08  -0.16
    17   1    -0.03   0.02  -0.08    -0.05  -0.02  -0.06    -0.20  -0.07  -0.26
    18   1     0.05  -0.09   0.05     0.06  -0.10   0.04     0.23  -0.35   0.09
    19   1     0.13   0.02  -0.01     0.10   0.03   0.02     0.36   0.09   0.03
    20   1    -0.02   0.02  -0.01    -0.03   0.03  -0.01    -0.25  -0.05   0.01
    21   1     0.04   0.02   0.02     0.07   0.04   0.04     0.26   0.09   0.06
    22   1     0.02  -0.03   0.03     0.04  -0.06   0.05     0.06  -0.14   0.34
    23   1     0.08  -0.04  -0.07     0.05  -0.05  -0.06    -0.07   0.05   0.07
    24   1     0.03   0.04   0.03     0.01   0.05   0.05    -0.11  -0.14  -0.12
    25   1    -0.01   0.04  -0.02    -0.02   0.06  -0.03     0.02  -0.19   0.12
    26   1     0.45  -0.43  -0.11     0.09   0.45  -0.02    -0.12  -0.03   0.03
    27   1     0.21  -0.17   0.51    -0.11  -0.44   0.11    -0.02   0.13  -0.13
    28   1    -0.32  -0.06  -0.22    -0.25   0.13   0.59     0.13  -0.02  -0.10
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1507.1191              1519.3962              1526.8140
 Red. masses --      1.0710                 1.0643                 1.0831
 Frc consts  --      1.4333                 1.4476                 1.4876
 IR Inten    --     10.2064                 7.2456                 6.8999
 RamAct Fr= 1--      3.1420                 2.4964                 4.4563
  Dep-P Fr= 1--      0.6606                 0.7068                 0.3764
  Dep-U Fr= 1--      0.7956                 0.8282                 0.5469
 Alpha2 Fr= 1--      0.0050                 0.0019                 0.0358
 Beta2  Fr= 1--      0.4166                 0.3446                 0.4062
 AlphaG Fr= 1--     -0.0114                -0.0087                -0.0005
 Gamma2 Fr= 1--     -3.1505                -1.8447                 2.4438
 Delta2 Fr= 1--     -0.6942                -0.7075                 1.0042
 Raman1 Fr= 1--      12.568                  9.985                 17.825
 ROA1   Fr= 1--    -324.660               -199.727                266.735
 CID1   Fr= 1--     -25.832                -20.002                 14.964
 Raman2 Fr= 1--       5.000                  4.135                  4.874
 ROA2   Fr= 1--     -70.058                -38.612                 50.617
 CID2   Fr= 1--     -14.013                 -9.337                 10.385
 Raman3 Fr= 1--       9.999                  8.270                  9.749
 ROA3   Fr= 1--    -324.660               -199.727                266.735
 CID3   Fr= 1--     -32.469                -24.150                 27.361
 RC180  Fr= 1--       0.591                  0.656                  0.094
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02  -0.00     0.01   0.00  -0.00    -0.03   0.02   0.00
     2   6     0.01   0.00  -0.00     0.01  -0.00  -0.00    -0.01   0.00  -0.00
     3   6    -0.00  -0.05  -0.00     0.01   0.03   0.00    -0.00   0.04   0.01
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.01  -0.01
     5   6    -0.02  -0.02  -0.01    -0.01  -0.03   0.01    -0.01  -0.01   0.00
     6   6    -0.00   0.00   0.00     0.00   0.01  -0.00     0.00  -0.01  -0.00
     7   6    -0.00  -0.00  -0.02     0.01   0.00   0.04    -0.02  -0.01  -0.05
     8   1    -0.22   0.05  -0.16    -0.06   0.02  -0.04     0.23  -0.05   0.16
     9   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.01
    10   1    -0.02  -0.02   0.00    -0.04  -0.00   0.01     0.01  -0.01  -0.01
    11   1    -0.00  -0.01  -0.01    -0.01   0.01  -0.01     0.01   0.00  -0.01
    12   6    -0.01  -0.01   0.01    -0.01  -0.03   0.01    -0.01  -0.01   0.01
    13   6    -0.01  -0.03  -0.01    -0.01  -0.01   0.02     0.00  -0.01  -0.01
    14   1     0.02   0.00  -0.01    -0.00   0.01   0.01     0.01  -0.01   0.00
    15   1     0.11  -0.02   0.10    -0.23   0.05  -0.23     0.33  -0.05   0.31
    16   1    -0.05   0.06   0.12     0.12  -0.13  -0.27    -0.16   0.20   0.37
    17   1     0.06   0.17  -0.10     0.20   0.40  -0.12     0.05   0.19  -0.12
    18   1    -0.04   0.02   0.14    -0.18   0.20   0.19    -0.04   0.03   0.09
    19   1     0.17  -0.04  -0.09     0.18  -0.13  -0.22     0.16  -0.06  -0.12
    20   1    -0.06   0.37  -0.12     0.24   0.18  -0.06    -0.10   0.15  -0.05
    21   1     0.13   0.24   0.33    -0.13   0.02   0.08     0.06   0.12   0.16
    22   1     0.13  -0.20   0.01     0.04  -0.01  -0.30     0.04  -0.08   0.07
    23   1    -0.17   0.14   0.18    -0.05   0.03   0.05     0.17  -0.15  -0.19
    24   1     0.16   0.25   0.23    -0.11  -0.18  -0.16    -0.11  -0.21  -0.20
    25   1    -0.06   0.33  -0.18     0.04  -0.23   0.13     0.07  -0.28   0.15
    26   1    -0.01  -0.01   0.01    -0.02   0.01   0.01     0.04   0.04  -0.01
    27   1    -0.01   0.02  -0.02    -0.02   0.01  -0.03     0.01  -0.04   0.05
    28   1     0.01  -0.01  -0.03     0.02  -0.00  -0.00    -0.04   0.01   0.06
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3019.8670              3021.3210              3023.7470
 Red. masses --      1.0377                 1.0427                 1.0744
 Frc consts  --      5.5759                 5.6082                 5.7875
 IR Inten    --     22.2771                12.9046                 9.5695
 RamAct Fr= 1--    137.9897                 2.2971                63.2840
  Dep-P Fr= 1--      0.0160                 0.7344                 0.5802
  Dep-U Fr= 1--      0.0315                 0.8469                 0.7343
 Alpha2 Fr= 1--      2.9537                 0.0006                 0.2015
 Beta2  Fr= 1--      0.7245                 0.3242                 7.7450
 AlphaG Fr= 1--      0.0050                -0.0052                -0.2229
 Gamma2 Fr= 1--     -1.0415                 3.4910               -13.7380
 Delta2 Fr= 1--     -0.3152                 2.1506               -12.4639
 Raman1 Fr= 1--     551.959                  9.188                253.136
 ROA1   Fr= 1--    -110.069                403.957              -1717.698
 CID1   Fr= 1--      -0.199                 43.965                 -6.786
 Raman2 Fr= 1--       8.694                  3.891                 92.940
 ROA2   Fr= 1--     -22.473                 66.579               -230.001
 CID2   Fr= 1--      -2.585                 17.113                 -2.475
 Raman3 Fr= 1--      17.387                  7.781                185.881
 ROA3   Fr= 1--    -110.069                403.957              -1717.698
 CID3   Fr= 1--      -6.330                 51.915                 -9.241
 RC180  Fr= 1--      -0.937                  0.694                  0.469
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.00     0.00   0.00   0.01     0.01   0.00   0.02
     2   6     0.00  -0.00   0.02    -0.00   0.00  -0.02    -0.01   0.01  -0.06
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.01  -0.01
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   1    -0.03   0.03   0.07     0.02  -0.02  -0.04     0.03  -0.03  -0.04
     9   6    -0.04  -0.02  -0.02    -0.01  -0.00   0.00    -0.01  -0.01   0.01
    10   1    -0.04   0.02  -0.19     0.05  -0.03   0.26     0.14  -0.10   0.79
    11   1     0.01   0.01  -0.00    -0.01  -0.01   0.01     0.05   0.03  -0.03
    12   6    -0.00  -0.00  -0.00     0.02  -0.00   0.03    -0.01   0.00   0.00
    13   6     0.00  -0.00   0.00    -0.03   0.01  -0.01     0.02  -0.01   0.00
    14   1     0.00  -0.12   0.00    -0.00   0.05  -0.00    -0.00   0.13  -0.00
    15   1     0.00  -0.00  -0.00    -0.01   0.01   0.01     0.00  -0.00  -0.01
    16   1    -0.01   0.00  -0.01     0.01  -0.00   0.01     0.02  -0.01   0.01
    17   1    -0.02   0.01   0.01     0.18  -0.11  -0.07     0.03  -0.02  -0.01
    18   1     0.04   0.03   0.00    -0.36  -0.26  -0.04     0.03   0.02   0.00
    19   1     0.01  -0.04   0.02    -0.06   0.37  -0.24     0.00  -0.01   0.01
    20   1     0.00   0.00   0.01    -0.02  -0.06  -0.23     0.01   0.04   0.14
    21   1    -0.00   0.01  -0.01     0.05  -0.36   0.25    -0.03   0.21  -0.15
    22   1    -0.01  -0.01  -0.00     0.35   0.27   0.05    -0.22  -0.16  -0.03
    23   1    -0.03   0.00  -0.04    -0.04   0.00  -0.05    -0.18   0.02  -0.20
    24   1     0.01  -0.02   0.02    -0.00   0.01  -0.01     0.05  -0.12   0.11
    25   1    -0.01  -0.01  -0.01     0.02   0.02   0.04    -0.01  -0.01  -0.02
    26   1     0.10  -0.03   0.63     0.01  -0.00   0.04    -0.00  -0.00  -0.01
    27   1     0.41  -0.20  -0.26     0.08  -0.04  -0.05     0.14  -0.07  -0.08
    28   1    -0.06   0.48  -0.14    -0.01   0.09  -0.02    -0.02   0.15  -0.04
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3026.9132              3027.8711              3038.4451
 Red. masses --      1.0530                 1.0566                 1.0767
 Frc consts  --      5.6843                 5.7074                 5.8566
 IR Inten    --     26.0919                45.8577                82.6128
 RamAct Fr= 1--    116.6284               185.6884                43.1875
  Dep-P Fr= 1--      0.1525                 0.1308                 0.4420
  Dep-U Fr= 1--      0.2647                 0.2314                 0.6130
 Alpha2 Fr= 1--      1.7915                 3.0126                 0.2734
 Beta2  Fr= 1--      5.1445                 7.1600                 4.4123
 AlphaG Fr= 1--      0.3891                -0.2213                 0.3163
 Gamma2 Fr= 1--     18.3534                 0.3201                 5.2547
 Delta2 Fr= 1--      7.4925                 6.0690                 5.4021
 Raman1 Fr= 1--     466.513                742.754                172.750
 ROA1   Fr= 1--    2001.687                224.939                677.323
 CID1   Fr= 1--       4.291                  0.303                  3.921
 Raman2 Fr= 1--      61.735                 85.919                 52.947
 ROA2   Fr= 1--     380.542                -40.868                 82.897
 CID2   Fr= 1--       6.164                 -0.476                  1.566
 Raman3 Fr= 1--     123.469                171.839                105.894
 ROA3   Fr= 1--    2001.687                224.939                677.323
 CID3   Fr= 1--      16.212                  1.309                  6.396
 RC180  Fr= 1--      -0.471                 -0.537                  0.226
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.00     0.02  -0.01  -0.00     0.03  -0.01   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.02     0.00  -0.00   0.02
     3   6     0.00  -0.04   0.01    -0.00   0.03  -0.01    -0.00  -0.02  -0.00
     4   6     0.01   0.01  -0.01    -0.02  -0.01   0.01     0.01   0.01  -0.01
     5   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.01  -0.00    -0.00   0.02   0.00     0.00  -0.06   0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.08  -0.09  -0.17    -0.08   0.09   0.16    -0.12   0.13   0.25
     9   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.01  -0.01
    10   1     0.00  -0.00   0.01    -0.05   0.03  -0.26    -0.04   0.03  -0.22
    11   1    -0.11  -0.08   0.07     0.19   0.13  -0.12    -0.09  -0.07   0.06
    12   6     0.01   0.00   0.02     0.02  -0.00   0.02     0.00   0.00   0.01
    13   6     0.02  -0.01   0.00     0.02  -0.01   0.00     0.01  -0.00   0.00
    14   1     0.01  -0.13   0.00     0.01  -0.20   0.00    -0.03   0.76   0.00
    15   1     0.02  -0.01  -0.02    -0.01   0.01   0.01     0.04  -0.03  -0.04
    16   1    -0.04   0.01  -0.02     0.01  -0.00   0.01    -0.02   0.01  -0.01
    17   1     0.13  -0.08  -0.06     0.12  -0.08  -0.05     0.03  -0.02  -0.01
    18   1    -0.24  -0.18  -0.03    -0.32  -0.23  -0.03    -0.07  -0.05  -0.01
    19   1    -0.04   0.25  -0.16    -0.05   0.32  -0.21    -0.01   0.06  -0.04
    20   1     0.01   0.05   0.17     0.01   0.04   0.14     0.00   0.01   0.05
    21   1    -0.04   0.26  -0.18    -0.03   0.20  -0.14    -0.01   0.06  -0.04
    22   1    -0.24  -0.18  -0.03    -0.20  -0.15  -0.03    -0.07  -0.05  -0.01
    23   1     0.19  -0.02   0.22    -0.12   0.01  -0.14    -0.25   0.02  -0.29
    24   1    -0.14   0.37  -0.37     0.12  -0.31   0.31    -0.04   0.11  -0.11
    25   1     0.13   0.13   0.24    -0.10  -0.10  -0.19     0.08   0.09   0.16
    26   1     0.01  -0.00   0.04    -0.00   0.00  -0.02     0.01  -0.00   0.07
    27   1     0.02  -0.01  -0.01    -0.06   0.03   0.04     0.02  -0.00  -0.01
    28   1    -0.01   0.05  -0.01     0.01  -0.08   0.02     0.01  -0.06   0.02
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3039.7185              3050.1306              3055.0251
 Red. masses --      1.0732                 1.0805                 1.0976
 Frc consts  --      5.8424                 5.9226                 6.0356
 IR Inten    --     34.6523                70.2164                17.8729
 RamAct Fr= 1--    187.0048               208.0244               113.7264
  Dep-P Fr= 1--      0.0997                 0.1309                 0.2373
  Dep-U Fr= 1--      0.1813                 0.2314                 0.3836
 Alpha2 Fr= 1--      3.2766                 3.3745                 1.3962
 Beta2  Fr= 1--      5.6509                 8.0245                 7.2714
 AlphaG Fr= 1--     -0.0320                -0.7307                 0.0879
 Gamma2 Fr= 1--     -7.3713               -17.6433                -5.1922
 Delta2 Fr= 1--      1.8944                -8.7386                -6.9688
 Raman1 Fr= 1--     748.019                832.097                454.906
 ROA1   Fr= 1--    -647.027              -1973.390               -721.453
 CID1   Fr= 1--      -0.865                 -2.372                 -1.586
 Raman2 Fr= 1--      67.810                 96.294                 87.256
 ROA2   Fr= 1--    -192.067               -353.530                -68.863
 CID2   Fr= 1--      -2.832                 -3.671                 -0.789
 Raman3 Fr= 1--     135.620                192.587                174.513
 ROA3   Fr= 1--    -647.027              -1973.390               -721.453
 CID3   Fr= 1--      -4.771                -10.247                 -4.134
 RC180  Fr= 1--      -0.637                 -0.537                 -0.233
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.01  -0.02     0.01   0.00   0.02     0.01  -0.02  -0.04
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
     3   6     0.01   0.02   0.01    -0.01  -0.03  -0.01     0.03  -0.01   0.06
     4   6    -0.02  -0.01   0.01    -0.05  -0.03   0.03    -0.01  -0.01   0.01
     5   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.05  -0.00     0.00   0.00   0.00    -0.00   0.01  -0.00
     7   6     0.01  -0.00   0.01    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
     8   1     0.10  -0.12  -0.23     0.04  -0.05  -0.08    -0.24   0.26   0.47
     9   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.01
    10   1    -0.00   0.00  -0.02    -0.01   0.01  -0.05     0.03  -0.02   0.15
    11   1     0.26   0.18  -0.17     0.60   0.40  -0.38     0.15   0.10  -0.10
    12   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    13   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    14   1    -0.02   0.54   0.00    -0.00  -0.05   0.00     0.00  -0.06  -0.00
    15   1     0.04  -0.03  -0.03    -0.08   0.06   0.08    -0.03   0.02   0.03
    16   1    -0.11   0.03  -0.06     0.16  -0.05   0.08     0.04  -0.01   0.02
    17   1     0.01  -0.01  -0.00    -0.01   0.00   0.00    -0.03   0.02   0.01
    18   1    -0.03  -0.02  -0.00     0.04   0.03   0.00     0.02   0.01   0.00
    19   1    -0.01   0.04  -0.03     0.01  -0.05   0.04    -0.00   0.03  -0.02
    20   1     0.00   0.01   0.02    -0.00  -0.01  -0.03     0.00  -0.00  -0.01
    21   1    -0.00   0.01  -0.00     0.01  -0.05   0.03     0.00  -0.02   0.02
    22   1    -0.04  -0.03  -0.01     0.02   0.01   0.00    -0.01  -0.01  -0.00
    23   1     0.39  -0.04   0.44    -0.13   0.01  -0.14     0.06  -0.01   0.06
    24   1     0.04  -0.10   0.11    -0.06   0.15  -0.15    -0.13   0.37  -0.34
    25   1    -0.12  -0.13  -0.23     0.17   0.19   0.32    -0.22  -0.25  -0.41
    26   1     0.01  -0.00   0.08    -0.00  -0.00  -0.00    -0.02   0.00  -0.09
    27   1     0.05  -0.02  -0.03    -0.01   0.00   0.00     0.03  -0.02  -0.02
    28   1    -0.00   0.05  -0.01     0.00  -0.02   0.01    -0.01   0.04  -0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3070.0185              3070.9889              3075.4809
 Red. masses --      1.1009                 1.0745                 1.0966
 Frc consts  --      6.1135                 5.9703                 6.1112
 IR Inten    --      0.3110                 6.0774                33.4201
 RamAct Fr= 1--     16.5629               246.6241                85.7670
  Dep-P Fr= 1--      0.5333                 0.0305                 0.3939
  Dep-U Fr= 1--      0.6956                 0.0593                 0.5652
 Alpha2 Fr= 1--      0.0694                 5.1015                 0.6491
 Beta2  Fr= 1--      1.9202                 2.4370                 8.0797
 AlphaG Fr= 1--     -0.1474                -0.6221                 0.2097
 Gamma2 Fr= 1--      4.9315                14.7665               -55.9626
 Delta2 Fr= 1--      0.6719                 8.0596               -35.6126
 Raman1 Fr= 1--      66.251                986.496                343.068
 ROA1   Fr= 1--     494.922               1675.488              -6512.009
 CID1   Fr= 1--       7.470                  1.698                -18.982
 Raman2 Fr= 1--      23.042                 29.244                 96.956
 ROA2   Fr= 1--     112.979                289.918              -1058.201
 CID2   Fr= 1--       4.903                  9.914                -10.914
 Raman3 Fr= 1--      46.084                 58.487                193.912
 ROA3   Fr= 1--     494.922               1675.488              -6512.009
 CID3   Fr= 1--      10.740                 28.647                -33.582
 RC180  Fr= 1--       0.391                 -0.881                  0.130
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.01    -0.01   0.01   0.03     0.01   0.01   0.05
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
     3   6     0.00   0.00   0.00     0.01   0.01   0.02     0.02  -0.00   0.04
     4   6     0.00   0.00  -0.00     0.01   0.01  -0.01    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.04   0.00  -0.05     0.02  -0.00   0.02
     8   1     0.04  -0.04  -0.07     0.13  -0.14  -0.25     0.18  -0.19  -0.34
     9   6     0.00   0.00  -0.01    -0.00   0.00  -0.00     0.01   0.01  -0.04
    10   1    -0.00   0.00  -0.03    -0.01   0.01  -0.08     0.00   0.00  -0.00
    11   1    -0.03  -0.02   0.02    -0.11  -0.07   0.07     0.05   0.04  -0.03
    12   6    -0.03  -0.06   0.02     0.01   0.01  -0.00     0.00  -0.00  -0.00
    13   6     0.02   0.05  -0.01     0.00  -0.01   0.01    -0.01  -0.01  -0.00
    14   1    -0.00  -0.00  -0.00    -0.00   0.11  -0.00     0.00  -0.05   0.00
    15   1    -0.02   0.01   0.02    -0.20   0.16   0.19     0.11  -0.09  -0.11
    16   1     0.07  -0.02   0.03     0.67  -0.21   0.34    -0.31   0.10  -0.16
    17   1    -0.01  -0.02   0.01    -0.02   0.02   0.01    -0.03   0.02   0.01
    18   1     0.46   0.32   0.06    -0.08  -0.06  -0.01     0.01   0.01   0.00
    19   1    -0.09   0.47  -0.32     0.01  -0.03   0.02    -0.00   0.01  -0.01
    20   1     0.01   0.01  -0.01    -0.00  -0.02  -0.04     0.00   0.01   0.05
    21   1     0.06  -0.32   0.22    -0.02   0.09  -0.06    -0.01   0.06  -0.04
    22   1    -0.32  -0.24  -0.05     0.00   0.00   0.00     0.10   0.08   0.01
    23   1    -0.03   0.00  -0.04    -0.07   0.01  -0.06    -0.28   0.03  -0.30
    24   1    -0.00   0.01  -0.01    -0.02   0.06  -0.06    -0.07   0.19  -0.18
    25   1    -0.01  -0.02  -0.03    -0.12  -0.14  -0.23    -0.16  -0.19  -0.30
    26   1     0.01  -0.00   0.05     0.01  -0.00   0.05     0.06  -0.02   0.35
    27   1    -0.02   0.01   0.01     0.00   0.00  -0.00    -0.16   0.08   0.09
    28   1     0.00  -0.03   0.01     0.00  -0.01   0.00     0.03  -0.23   0.05
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3076.7280              3081.3466              3086.0948
 Red. masses --      1.1004                 1.1001                 1.1006
 Frc consts  --      6.1372                 6.1541                 6.1758
 IR Inten    --     61.9016                66.6751                55.1578
 RamAct Fr= 1--    153.6035                80.6462                70.4538
  Dep-P Fr= 1--      0.7500                 0.6599                 0.7214
  Dep-U Fr= 1--      0.8571                 0.7951                 0.8382
 Alpha2 Fr= 1--      0.0000                 0.1296                 0.0347
 Beta2  Fr= 1--     21.9434                10.6875                 9.8419
 AlphaG Fr= 1--      0.0000                 0.0738                -0.0548
 Gamma2 Fr= 1--     -7.0074                49.4884                 0.8775
 Delta2 Fr= 1--     -3.5039                32.3184                 3.1117
 Raman1 Fr= 1--     614.414                322.585                281.815
 ROA1   Fr= 1--    -784.835               5785.078                183.814
 CID1   Fr= 1--      -1.277                 17.934                  0.652
 Raman2 Fr= 1--     263.320                128.250                118.102
 ROA2   Fr= 1--    -140.147                929.175                 -3.833
 CID2   Fr= 1--      -0.532                  7.245                 -0.032
 Raman3 Fr= 1--     526.641                256.501                236.205
 ROA3   Fr= 1--    -784.835               5785.078                183.814
 CID3   Fr= 1--      -1.490                 22.554                  0.778
 RC180  Fr= 1--       0.714                  0.590                  0.676
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.01     0.00   0.01   0.03     0.00   0.01   0.02
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.02     0.00  -0.00   0.01
     3   6    -0.00  -0.00  -0.01     0.01   0.00   0.01     0.00   0.00   0.01
     4   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.01
     8   1    -0.03   0.03   0.05     0.09  -0.10  -0.18     0.07  -0.08  -0.13
     9   6    -0.00   0.00   0.00    -0.04   0.03   0.07     0.03  -0.07   0.03
    10   1     0.00  -0.00  -0.00    -0.03   0.02  -0.19    -0.03   0.02  -0.15
    11   1     0.02   0.01  -0.01     0.01   0.00  -0.00     0.01   0.01  -0.01
    12   6    -0.02  -0.05   0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   6    -0.03  -0.06   0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.00   0.03   0.00     0.00  -0.02   0.00    -0.00   0.05   0.00
    15   1    -0.01   0.01   0.01     0.05  -0.04  -0.05     0.05  -0.04  -0.05
    16   1     0.04  -0.01   0.02    -0.11   0.03  -0.05    -0.07   0.02  -0.04
    17   1     0.00  -0.01   0.00    -0.03   0.02   0.01    -0.03   0.02   0.01
    18   1     0.33   0.23   0.05    -0.00  -0.00  -0.00     0.01   0.00   0.00
    19   1    -0.06   0.33  -0.23    -0.00   0.02  -0.01    -0.00   0.02  -0.02
    20   1    -0.01  -0.02  -0.00     0.00   0.01   0.04     0.00   0.01   0.04
    21   1    -0.09   0.46  -0.32     0.00  -0.01   0.01    -0.00   0.00  -0.00
    22   1     0.45   0.33   0.07     0.01   0.01   0.00     0.02   0.02   0.00
    23   1     0.04  -0.00   0.04    -0.12   0.02  -0.12    -0.12   0.02  -0.14
    24   1     0.01  -0.03   0.03    -0.02   0.06  -0.05    -0.02   0.05  -0.04
    25   1     0.03   0.03   0.05    -0.05  -0.06  -0.10    -0.04  -0.05  -0.08
    26   1    -0.01   0.00  -0.03    -0.11   0.03  -0.52    -0.06   0.00  -0.37
    27   1     0.03  -0.01  -0.02     0.58  -0.27  -0.34    -0.26   0.11   0.17
    28   1    -0.00   0.00   0.00     0.01  -0.12   0.05    -0.08   0.75  -0.20
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3105.7597              3120.3603              3128.1721
 Red. masses --      1.0993                 1.0943                 1.0984
 Frc consts  --      6.2472                 6.2775                 6.3330
 IR Inten    --     33.7823                26.6740                41.6252
 RamAct Fr= 1--     22.3212                51.5041               114.6247
  Dep-P Fr= 1--      0.7340                 0.4940                 0.4314
  Dep-U Fr= 1--      0.8466                 0.6613                 0.6028
 Alpha2 Fr= 1--      0.0061                 0.2615                 0.7560
 Beta2  Fr= 1--      3.1495                 5.6769                11.5151
 AlphaG Fr= 1--     -0.0182                -0.0276                 0.1882
 Gamma2 Fr= 1--     -3.0512                 2.5680                 2.3614
 Delta2 Fr= 1--     -1.8415                 1.0171                 1.2652
 Raman1 Fr= 1--      89.285                206.016                458.499
 ROA1   Fr= 1--    -351.846                279.076                267.176
 CID1   Fr= 1--      -3.941                  1.355                  0.583
 Raman2 Fr= 1--      37.794                 68.123                138.182
 ROA2   Fr= 1--     -58.497                 53.496                 46.551
 CID2   Fr= 1--      -1.548                  0.785                  0.337
 Raman3 Fr= 1--      75.589                136.245                276.364
 ROA3   Fr= 1--    -351.846                279.076                267.176
 CID3   Fr= 1--      -4.655                  2.048                  0.967
 RC180  Fr= 1--       0.693                  0.323                  0.206
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00  -0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.03   0.02   0.01     0.00  -0.00  -0.00     0.07  -0.04  -0.03
     8   1    -0.01   0.01   0.02     0.00  -0.00  -0.01     0.01  -0.01  -0.01
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   1     0.00  -0.00   0.02    -0.01   0.01  -0.06    -0.00   0.00  -0.01
    11   1     0.01   0.01  -0.00    -0.00  -0.00  -0.00    -0.04  -0.02   0.02
    12   6     0.00  -0.00  -0.00    -0.07   0.04   0.02     0.00  -0.00  -0.00
    13   6    -0.02  -0.02  -0.08    -0.00  -0.00  -0.00    -0.01  -0.01  -0.03
    14   1     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.05  -0.00
    15   1     0.17  -0.14  -0.19    -0.02   0.01   0.02    -0.51   0.42   0.55
    16   1     0.19  -0.06   0.11     0.00  -0.00   0.00    -0.28   0.08  -0.16
    17   1    -0.03   0.02   0.01     0.74  -0.47  -0.35    -0.03   0.02   0.01
    18   1    -0.00   0.00   0.00     0.15   0.13   0.02    -0.01  -0.01  -0.00
    19   1    -0.00   0.00  -0.00     0.01  -0.17   0.12    -0.00   0.01  -0.00
    20   1     0.05   0.24   0.83     0.00   0.01   0.04     0.02   0.10   0.33
    21   1     0.03  -0.20   0.12     0.00  -0.01   0.01     0.01  -0.06   0.04
    22   1     0.19   0.14   0.01     0.01   0.01  -0.00     0.06   0.04   0.00
    23   1     0.03  -0.00   0.03    -0.02   0.00  -0.02    -0.02   0.00  -0.02
    24   1     0.00  -0.01   0.01    -0.00   0.01  -0.01     0.00  -0.00   0.00
    25   1     0.01   0.01   0.02    -0.03  -0.04  -0.06    -0.00  -0.00  -0.01
    26   1     0.01  -0.00   0.03    -0.00   0.00  -0.02    -0.00  -0.00  -0.01
    27   1    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.00  -0.00   0.00
    28   1     0.00  -0.02   0.01    -0.00   0.01  -0.00    -0.00   0.01  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Molecular mass:   138.14085 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   918.032861552.462781670.45487
           X            0.99998  -0.00141   0.00537
           Y            0.00121   0.99931   0.03704
           Z           -0.00542  -0.03704   0.99930
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.09435     0.05579     0.05185
 Rotational constants (GHZ):           1.96588     1.16250     1.08039
 Zero-point vibrational energy     682224.1 (Joules/Mol)
                                  163.05547 (Kcal/Mol)
 Warning -- explicit consideration of  15 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    182.69   253.70   289.52   307.98   331.33
          (Kelvin)            374.95   435.24   448.89   553.07   561.14
                              619.30   650.31   693.58   757.21   832.43
                              960.93  1132.28  1137.04  1195.74  1241.56
                             1277.97  1304.38  1340.14  1369.73  1390.32
                             1394.39  1455.01  1459.30  1478.13  1520.94
                             1547.79  1587.22  1598.09  1621.15  1698.02
                             1717.20  1766.47  1774.27  1784.40  1802.26
                             1825.09  1871.85  1903.75  1917.40  1943.48
                             1955.99  1980.31  2002.21  2020.34  2030.96
                             2046.58  2138.40  2140.71  2149.53  2156.29
                             2156.79  2165.92  2168.41  2186.07  2196.74
                             4344.92  4347.01  4350.50  4355.05  4356.43
                             4371.64  4373.48  4388.46  4395.50  4417.07
                             4418.47  4424.93  4426.73  4433.37  4440.20
                             4468.50  4489.50  4500.74
 
 Zero-point correction=                           0.259845 (Hartree/Particle)
 Thermal correction to Energy=                    0.269843
 Thermal correction to Enthalpy=                  0.270787
 Thermal correction to Gibbs Free Energy=         0.226038
 Sum of electronic and zero-point Energies=           -391.815244
 Sum of electronic and thermal Energies=              -391.805246
 Sum of electronic and thermal Enthalpies=            -391.804302
 Sum of electronic and thermal Free Energies=         -391.849052
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  169.329             41.382             94.184
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.681
 Rotational               0.889              2.981             29.255
 Vibrational            167.552             35.421             24.247
 Vibration     1          0.611              1.926              2.991
 Vibration     2          0.628              1.872              2.367
 Vibration     3          0.638              1.838              2.122
 Vibration     4          0.644              1.820              2.009
 Vibration     5          0.652              1.795              1.877
 Vibration     6          0.669              1.745              1.658
 Vibration     7          0.694              1.669              1.403
 Vibration     8          0.700              1.651              1.352
 Vibration     9          0.753              1.503              1.022
 Vibration    10          0.758              1.492              1.000
 Vibration    11          0.792              1.404              0.857
 Vibration    12          0.811              1.356              0.790
 Vibration    13          0.838              1.290              0.705
 Vibration    14          0.881              1.192              0.596
 Vibration    15          0.935              1.078              0.488
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.107151-103       -103.970005       -239.399784
 Total V=0       0.355214D+16         15.550490         35.806327
 Vib (Bot)       0.303987-117       -117.517145       -270.593226
 Vib (Bot)    1  0.160671D+01          0.205937          0.474187
 Vib (Bot)    2  0.114048D+01          0.057086          0.131445
 Vib (Bot)    3  0.990419D+00         -0.004181         -0.009627
 Vib (Bot)    4  0.926360D+00         -0.033220         -0.076492
 Vib (Bot)    5  0.855174D+00         -0.067946         -0.156451
 Vib (Bot)    6  0.745084D+00         -0.127795         -0.294258
 Vib (Bot)    7  0.627775D+00         -0.202196         -0.465573
 Vib (Bot)    8  0.605379D+00         -0.217972         -0.501900
 Vib (Bot)    9  0.468905D+00         -0.328916         -0.757356
 Vib (Bot)   10  0.460319D+00         -0.336941         -0.775835
 Vib (Bot)   11  0.404655D+00         -0.392915         -0.904721
 Vib (Bot)   12  0.378791D+00         -0.421601         -0.970772
 Vib (Bot)   13  0.346328D+00         -0.460513         -1.060370
 Vib (Bot)   14  0.304933D+00         -0.515795         -1.187662
 Vib (Bot)   15  0.263753D+00         -0.578802         -1.332742
 Vib (V=0)       0.100774D+03          2.003351          4.612885
 Vib (V=0)    1  0.218271D+01          0.338996          0.780567
 Vib (V=0)    2  0.174526D+01          0.241861          0.556906
 Vib (V=0)    3  0.160947D+01          0.206684          0.475907
 Vib (V=0)    4  0.155268D+01          0.191083          0.439985
 Vib (V=0)    5  0.149062D+01          0.173366          0.399190
 Vib (V=0)    6  0.139730D+01          0.145290          0.334543
 Vib (V=0)    7  0.130256D+01          0.114798          0.264331
 Vib (V=0)    8  0.128517D+01          0.108959          0.250887
 Vib (V=0)    9  0.118547D+01          0.073891          0.170141
 Vib (V=0)   10  0.117963D+01          0.071745          0.165199
 Vib (V=0)   11  0.114323D+01          0.058134          0.133858
 Vib (V=0)   12  0.112728D+01          0.052032          0.119809
 Vib (V=0)   13  0.110823D+01          0.044630          0.102764
 Vib (V=0)   14  0.108565D+01          0.035689          0.082178
 Vib (V=0)   15  0.106530D+01          0.027473          0.063258
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.638171D+08          7.804937         17.971532
 Rotational      0.552335D+06          5.742203         13.221910
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004039   -0.000026074    0.000013452
      2        6           0.000007966    0.000026585    0.000003598
      3        6           0.000036680    0.000008815    0.000021338
      4        6          -0.000078438    0.000028946   -0.000026848
      5        6           0.000068266   -0.000050693    0.000042459
      6        6           0.000000817   -0.000040430   -0.000004492
      7        6           0.000012142    0.000029831   -0.000009440
      8        1          -0.000000875    0.000000881    0.000001624
      9        6           0.000004673   -0.000001232   -0.000005313
     10        1          -0.000001833   -0.000010544   -0.000009475
     11        1          -0.000000232    0.000008767   -0.000002480
     12        6          -0.000001884   -0.000002111    0.000014370
     13        6          -0.000007366    0.000014509   -0.000005854
     14        1          -0.000002414   -0.000000985    0.000000003
     15        1           0.000007783   -0.000010205    0.000009792
     16        1          -0.000009209    0.000005097    0.000007028
     17        1          -0.000017976    0.000015316   -0.000026458
     18        1           0.000002135   -0.000001949   -0.000001129
     19        1           0.000003516    0.000000350    0.000000649
     20        1          -0.000006504    0.000004120   -0.000003570
     21        1           0.000001640   -0.000003894   -0.000003631
     22        1          -0.000000243   -0.000000651   -0.000001177
     23        1           0.000001415   -0.000006355   -0.000003842
     24        1           0.000001036    0.000001866    0.000002421
     25        1          -0.000015813    0.000004784   -0.000012507
     26        1           0.000001004    0.000004222   -0.000001000
     27        1          -0.000001523    0.000002167    0.000000111
     28        1          -0.000000723   -0.000001132    0.000000372
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000078438 RMS     0.000017681
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.125865D+03 -0.127800D+00  0.662815D+00
      2  -0.127800D+00  0.112470D+03 -0.146836D+00
      3   0.662815D+00 -0.146836D+00  0.108506D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.214334D+01  0.114482D+01  0.216386D+01
      2   0.333186D+01 -0.931529D+00  0.542078D+01
      3   0.420320D+01  0.292039D+01 -0.130800D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.430350D+01 -0.198155D+02  0.115813D+02
      2  -0.637888D+01  0.987168D+01 -0.376462D+01
      3   0.106824D+02  0.994381D+01 -0.781664D+01
      4  -0.272041D+02 -0.942852D+01  0.278445D+01
      5   0.184201D+02  0.176164D+01  0.152892D+02
      6   0.131538D+01  0.470988D+01 -0.366633D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    84 ND12= 1 LenFil=    3027:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.989979D+00 -0.276584D+01  0.113199D+01 -0.317655D+01  0.687922D-01
      2  -0.276584D+01 -0.453995D+00  0.132447D+01  0.687922D-01  0.321684D+01
      3   0.113199D+01  0.132447D+01  0.291412D+01  0.171654D+01 -0.134739D+01
                 6             7             8             9            10 
      1   0.171654D+01  0.881979D+00  0.203360D+01  0.420644D+01 -0.709321D-01
      2  -0.134739D+01  0.203360D+01 -0.207375D+01 -0.214082D+01  0.353717D+01
      3  -0.160994D+01  0.420644D+01 -0.214082D+01 -0.351066D+00  0.159120D+01
                11            12            13            14            15 
      1   0.353717D+01  0.159120D+01  0.441359D+01  0.748925D+00  0.653878D-01
      2   0.149744D+01 -0.179615D+00  0.748925D+00 -0.514886D+01  0.679080D+00
      3  -0.179615D+00 -0.201448D+01  0.653878D-01  0.679080D+00  0.112096D+01
                16            17            18            19            20 
      1   0.246670D+01 -0.235732D-01 -0.235072D+01  0.877788D+00  0.182791D+01
      2  -0.235732D-01  0.145814D+01  0.132683D+01  0.182791D+01  0.670604D+00
      3  -0.235072D+01  0.132683D+01 -0.625486D+01 -0.762897D+00 -0.340799D+01
                21            22            23            24            25 
      1  -0.762897D+00  0.220296D+01  0.553506D+00 -0.322833D+01 -0.696357D+00
      2  -0.340799D+01  0.553506D+00 -0.383875D+01  0.158799D+01 -0.392012D+01
      3  -0.676236D+00 -0.322833D+01  0.158799D+01 -0.264329D+01 -0.871582D+00
                26            27            28            29            30 
      1  -0.392012D+01 -0.871582D+00 -0.250706D+01 -0.231330D+01  0.735192D+00
      2   0.207976D+01 -0.398211D+01 -0.231330D+01 -0.181558D+01  0.461167D+01
      3  -0.398211D+01 -0.404528D+00  0.735192D+00  0.461167D+01 -0.141736D+01
                31            32            33            34            35 
      1  -0.257528D+01 -0.156498D+01  0.458954D+01  0.847323D+00  0.520947D+01
      2  -0.156498D+01  0.164807D+01  0.410445D+00  0.520947D+01 -0.596688D+00
      3   0.458954D+01  0.410445D+00  0.250377D+01 -0.143291D+01  0.230680D+01
                36            37            38            39            40 
      1  -0.143291D+01  0.461733D+01  0.469725D+01  0.326179D+01  0.562630D+01
      2   0.230680D+01  0.469725D+01  0.136588D+01 -0.144244D+01  0.249653D+01
      3  -0.721206D+00  0.326179D+01 -0.144244D+01  0.566484D+00 -0.210600D+01
                41            42            43            44            45 
      1   0.249653D+01 -0.210600D+01  0.414207D+01 -0.207370D+01  0.212634D+00
      2  -0.303468D+01  0.310056D+01 -0.207370D+01  0.398190D+01 -0.261228D+01
      3   0.310056D+01 -0.256109D+01  0.212634D+00 -0.261228D+01 -0.197375D+01
                46            47            48            49            50 
      1  -0.371439D+01 -0.331068D+01 -0.296864D+01 -0.388327D+01 -0.236015D+00
      2  -0.331068D+01 -0.354092D+00 -0.223185D+00 -0.236015D+00  0.805802D+01
      3  -0.296864D+01 -0.223185D+00 -0.100875D+01 -0.237503D-01 -0.757497D+00
                51            52            53            54            55 
      1  -0.237503D-01 -0.522583D+01 -0.413572D+00 -0.255468D+00  0.159689D+01
      2  -0.757497D+00 -0.413572D+00 -0.542172D+00 -0.210924D+01 -0.254551D+00
      3  -0.243907D+01 -0.255468D+00 -0.210924D+01  0.386054D+01  0.326937D+01
                56            57            58            59            60 
      1  -0.254551D+00  0.326937D+01 -0.568772D+00 -0.188995D+01 -0.329219D+01
      2  -0.163326D+01 -0.342216D+01 -0.188995D+01 -0.149627D+01 -0.176025D+01
      3  -0.342216D+01  0.519764D+00 -0.329219D+01 -0.176025D+01  0.251865D+01
                61            62            63            64            65 
      1   0.294375D+01 -0.254267D+01  0.487444D+00 -0.307715D+01  0.183790D+01
      2  -0.254267D+01 -0.124585D+01  0.203122D+01  0.183790D+01 -0.126682D+01
      3   0.487444D+00  0.203122D+01 -0.627297D+00  0.185526D+01 -0.110383D+01
                66            67            68            69            70 
      1   0.185526D+01  0.176733D+01 -0.167346D+01 -0.120958D+01  0.289143D+01
      2  -0.110383D+01 -0.167346D+01  0.243745D+01  0.198762D+01 -0.173460D+01
      3  -0.191474D+01 -0.120958D+01  0.198762D+01  0.170476D+01 -0.307268D+01
                71            72            73            74            75 
      1  -0.173460D+01 -0.307268D+01  0.170792D+01 -0.383768D+01 -0.283015D+01
      2   0.264559D+01  0.243229D+01 -0.383768D+01 -0.170273D+01  0.621665D+00
      3   0.243229D+01  0.429789D+01 -0.283015D+01  0.621665D+00  0.243335D+01
                76            77            78            79            80 
      1  -0.532055D+01 -0.468529D+00  0.558416D+00 -0.358752D+01  0.258018D+00
      2  -0.468529D+00  0.621581D+01 -0.202985D+01  0.258018D+00 -0.222467D+01
      3   0.558416D+00 -0.202985D+01 -0.471404D+00  0.305879D+01 -0.773477D-02
                81            82            83            84            85 
      1   0.305879D+01  0.612139D+00 -0.634921D+00  0.105059D+01 -0.904082D+00
      2  -0.773477D-02 -0.634921D+00 -0.118571D+00 -0.230733D-01 -0.179004D+00
      3   0.481975D+01  0.105059D+01 -0.230733D-01  0.588030D+00  0.904618D-01
                86            87            88            89            90 
      1  -0.179004D+00  0.904618D-01  0.178321D+01  0.266219D+00  0.444833D+00
      2  -0.300122D+00  0.119641D+01  0.266219D+00  0.114455D+01 -0.127256D+01
      3   0.119641D+01 -0.112229D+01  0.444833D+00 -0.127256D+01  0.801927D+01
                91            92            93            94            95 
      1   0.585023D+01  0.303437D+01 -0.250766D+01  0.243865D+01  0.229286D+01
      2   0.303437D+01  0.278594D+01 -0.191637D+01  0.229286D+01  0.364431D+01
      3  -0.250766D+01 -0.191637D+01  0.222322D+01 -0.161095D+01 -0.166508D+01
                96            97            98            99           100 
      1  -0.161095D+01 -0.199152D+01 -0.160890D+01  0.224833D+01 -0.181212D+01
      2  -0.166508D+01 -0.160890D+01 -0.141835D+01  0.159226D+01 -0.460210D+01
      3   0.123229D+01  0.224833D+01  0.159226D+01 -0.260906D+01 -0.310832D+01
               101           102           103           104           105 
      1  -0.460210D+01 -0.310832D+01 -0.501940D+01 -0.179814D+01  0.116249D+01
      2  -0.122362D+01  0.892360D+00 -0.179814D+01  0.120894D+01 -0.392329D+01
      3   0.892360D+00  0.475236D+00  0.116249D+01 -0.392329D+01  0.291038D+01
               106           107           108           109           110 
      1  -0.296187D+01  0.142105D+01  0.453692D+00 -0.208737D+01 -0.440363D+01
      2   0.142105D+01 -0.323946D+01  0.259063D+01 -0.440363D+01 -0.952125D+00
      3   0.453692D+00  0.259063D+01  0.148439D+01 -0.205834D+01  0.117047D+01
               111           112           113           114           115 
      1  -0.205834D+01 -0.533666D+01 -0.244460D+01  0.153039D+01 -0.234036D+01
      2   0.117047D+01 -0.244460D+01  0.311052D+01 -0.257800D+01  0.137665D+01
      3   0.233293D+00  0.153039D+01 -0.257800D+01  0.279911D+01 -0.448860D+00
               116           117           118           119           120 
      1   0.137665D+01 -0.448860D+00  0.238022D-01 -0.122053D+01  0.505574D+00
      2  -0.298355D+01  0.322209D+01 -0.122053D+01  0.392101D+00 -0.724870D-01
      3   0.322209D+01  0.418182D+01  0.505574D+00 -0.724870D-01  0.793966D-01
               121           122           123           124           125 
      1  -0.152508D+01 -0.311047D+00  0.985394D-01  0.778159D+00  0.950465D-01
      2  -0.311047D+00 -0.106865D+02  0.894751D-01  0.950465D-01  0.260039D+00
      3   0.985394D-01  0.894751D-01 -0.840814D+00 -0.975357D-01 -0.120853D+01
               126           127           128           129           130 
      1  -0.975357D-01  0.226032D+01 -0.101866D+01 -0.207840D+01 -0.107148D+01
      2  -0.120853D+01 -0.101866D+01  0.124593D+01  0.119528D+01  0.113716D+01
      3  -0.123773D+00 -0.207840D+01  0.119528D+01  0.258904D+01  0.115686D+01
               131           132           133           134           135 
      1   0.113716D+01  0.115686D+01 -0.175012D+01  0.933590D+00  0.208798D+01
      2  -0.188257D+01 -0.175774D+01  0.933590D+00 -0.149426D+01 -0.229687D+01
      3  -0.175774D+01 -0.269910D+01  0.208798D+01 -0.229687D+01 -0.597149D+01
               136           137           138           139           140 
      1  -0.483697D+01  0.416242D+00 -0.313550D+01  0.958539D+00 -0.723243D+00
      2   0.416242D+00 -0.819889D+00  0.646614D+00 -0.723243D+00  0.739880D+00
      3  -0.313550D+01  0.646614D+00 -0.346294D+01  0.914118D+00 -0.786104D+00
               141           142           143           144           145 
      1   0.914118D+00 -0.239585D+01  0.458639D+00 -0.241794D+01 -0.352788D+01
      2  -0.786104D+00  0.458639D+00 -0.497655D+00  0.190769D+00  0.179970D+01
      3   0.815701D+00 -0.241794D+01  0.190769D+00 -0.415764D+01  0.120650D+01
               146           147           148           149           150 
      1   0.179970D+01  0.120650D+01  0.200906D+01 -0.101066D+01 -0.612736D+00
      2  -0.130101D+01 -0.899842D+00 -0.101066D+01  0.169943D+01  0.148629D+01
      3  -0.899842D+00 -0.241032D+01 -0.612736D+00  0.148629D+01  0.131370D+01
               151           152           153           154           155 
      1   0.128891D+01 -0.729587D+00 -0.142603D+01  0.642682D+01  0.292084D+01
      2  -0.729587D+00  0.121511D+01  0.923906D+00  0.292084D+01  0.220814D+01
      3  -0.142603D+01  0.923906D+00  0.218071D+01  0.259151D+01  0.100544D+01
               156           157           158           159           160 
      1   0.259151D+01  0.348529D+01  0.252821D+01  0.118802D+01  0.102605D+01
      2   0.100544D+01  0.252821D+01  0.255978D+01  0.160884D+01  0.375755D+00
      3   0.226235D+01  0.118802D+01  0.160884D+01  0.115632D+01  0.135565D+01
               161           162           163           164           165 
      1   0.375755D+00  0.135565D+01  0.109989D+01 -0.451725D+00  0.142545D+01
      2   0.632389D+00  0.595642D+00 -0.451725D+00  0.647108D+00 -0.443870D+00
      3   0.595642D+00  0.889975D+00  0.142545D+01 -0.443870D+00  0.783239D+00
               166           167           168           169           170 
      1  -0.111233D+01  0.127719D+01 -0.129753D+01  0.118907D+01 -0.731235D+00
      2   0.127719D+01 -0.410991D+01  0.318475D+01 -0.731235D+00  0.212099D+01
      3  -0.129753D+01  0.318475D+01 -0.440173D+01  0.117555D+01 -0.267685D+01
               171           172           173           174           175 
      1   0.117555D+01  0.137013D+00  0.153146D+00 -0.993197D+00  0.564380D-01
      2  -0.267685D+01  0.153146D+00  0.743939D-01  0.164264D+00  0.728511D+00
      3   0.459380D+01 -0.993197D+00  0.164264D+00  0.399723D+00  0.309123D+00
               176           177           178           179           180 
      1   0.728511D+00  0.309123D+00 -0.207309D+01  0.765309D+00  0.128867D+01
      2  -0.162829D+01 -0.122887D+01  0.765309D+00 -0.149284D+01 -0.218705D+01
      3  -0.122887D+01 -0.182964D+01  0.128867D+01 -0.218705D+01 -0.639272D+01
               181           182           183           184           185 
      1   0.157960D+01 -0.101084D+01  0.881529D+00 -0.204008D+01  0.295947D+01
      2  -0.101084D+01  0.102456D+01 -0.521332D+00  0.295947D+01 -0.649407D+01
      3   0.881529D+00 -0.521332D+00  0.251279D+00 -0.954373D+00  0.224992D+01
               186           187           188           189           190 
      1  -0.954373D+00  0.210175D+01 -0.150988D+01  0.105659D+01  0.897602D+01
      2   0.224992D+01 -0.150988D+01  0.300629D+01 -0.214021D+01  0.205378D+01
      3  -0.193107D+01  0.105659D+01 -0.214021D+01  0.177065D+01  0.332993D+00
               191           192           193           194           195 
      1   0.205378D+01  0.332993D+00  0.489200D+01  0.205615D+01 -0.126931D+00
      2   0.146832D+01  0.572339D-02  0.205615D+01  0.157753D+01  0.369220D+00
      3   0.572339D-02  0.817868D+00 -0.126931D+00  0.369220D+00  0.520176D+00
               196           197           198           199           200 
      1   0.978087D+00 -0.111570D+00  0.124474D+01 -0.468577D+01  0.105117D+01
      2  -0.111570D+00  0.508884D+00  0.102074D+00  0.105117D+01 -0.114577D+01
      3   0.124474D+01  0.102074D+00 -0.818415D-01 -0.218489D+01  0.364977D+00
               201           202           203           204           205 
      1  -0.218489D+01  0.728713D+00 -0.938207D+00  0.136013D+00 -0.333158D+01
      2   0.364977D+00 -0.938207D+00  0.142724D+00 -0.545315D+00  0.265760D+00
      3  -0.172830D+01  0.136013D+00 -0.545315D+00  0.427120D+00 -0.223024D+01
               206           207           208           209           210 
      1   0.265760D+00 -0.223024D+01 -0.126691D+01  0.137333D+01 -0.756556D+00
      2  -0.128390D+01  0.922994D+00  0.137333D+01 -0.172144D+01  0.104354D+01
      3   0.922994D+00 -0.254969D+01 -0.756556D+00  0.104354D+01 -0.443791D+00
               211           212           213           214           215 
      1   0.964381D+00 -0.138073D+01  0.765634D+00 -0.110834D+01  0.128345D+01
      2  -0.138073D+01  0.783815D+01 -0.319202D+01  0.128345D+01 -0.474073D+01
      3   0.765634D+00 -0.319202D+01  0.222164D+01 -0.523017D+00  0.352684D+01
               216           217           218           219           220 
      1  -0.523017D+00  0.176713D+01  0.955026D+00  0.123725D+01  0.723248D+00
      2   0.352684D+01  0.955026D+00  0.183077D+01  0.119433D+01  0.113896D+01
      3  -0.313252D+01  0.123725D+01  0.119433D+01  0.122404D+01  0.852945D+00
               221           222           223           224           225 
      1   0.113896D+01  0.852945D+00  0.162875D+01  0.118839D+01  0.129647D+01
      2   0.438020D+01  0.189859D+01  0.118839D+01  0.302726D+01  0.276294D+01
      3   0.189859D+01  0.183588D+01  0.129647D+01  0.276294D+01  0.349289D+01
               226           227           228           229           230 
      1  -0.158209D+01  0.152794D+00 -0.106529D+01  0.699710D+00 -0.345664D+00
      2   0.152794D+00 -0.506140D-01 -0.245590D+00 -0.345664D+00 -0.721384D+00
      3  -0.106529D+01 -0.245590D+00 -0.135148D+01 -0.138386D+00 -0.709955D+00
               231           232           233           234           235 
      1  -0.138386D+00 -0.258719D+01 -0.872231D+00 -0.227185D+01 -0.910286D+01
      2  -0.709955D+00 -0.872231D+00 -0.133056D+01 -0.675292D+00  0.750884D+00
      3  -0.194028D-01 -0.227185D+01 -0.675292D+00 -0.630776D+01  0.285553D+01
               236           237           238           239           240 
      1   0.750884D+00  0.285553D+01  0.315439D+01 -0.110669D+01 -0.792444D+00
      2  -0.100465D+01 -0.297165D+00 -0.110669D+01  0.376438D+00  0.778192D+00
      3  -0.297165D+00 -0.186560D+01 -0.792444D+00  0.778192D+00  0.759031D+00
               241           242           243           244           245 
      1   0.400134D+01 -0.762100D-01 -0.257265D+01 -0.251366D+00 -0.737054D+00
      2  -0.762100D-01  0.106739D+01  0.249530D+00 -0.737054D+00  0.352979D+00
      3  -0.257265D+01  0.249530D+00  0.154509D+01  0.518090D+00 -0.418417D-01
               246           247           248           249           250 
      1   0.518090D+00 -0.158708D+01 -0.191535D+01  0.258711D+00  0.110108D+01
      2  -0.418417D-01 -0.191535D+01 -0.951274D+01  0.165400D+01  0.416914D+00
      3  -0.664560D-01  0.258711D+00  0.165400D+01 -0.127065D+01 -0.646329D+00
               251           252 
      1   0.416914D+00 -0.646329D+00
      2   0.201614D+01 -0.146727D+01
      3  -0.146727D+01  0.522427D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.484331D+01 -0.360702D+01 -0.364887D+01 -0.382861D+01  0.661587D+01
      2  -0.332023D+01 -0.228945D+01 -0.608517D+01 -0.259910D+01  0.315572D+01
      3  -0.751440D+01 -0.102811D+02  0.627064D+01 -0.286911D+01  0.711093D+01
                 6             7             8             9            10 
      1   0.415318D+00 -0.462116D+01  0.594410D+01 -0.325797D+00  0.447560D+01
      2   0.394169D+01 -0.146376D+02  0.494311D+01  0.304455D-01 -0.353475D+01
      3  -0.187746D+00  0.753144D+01 -0.570837D+00  0.762634D+00  0.805192D+01
                11            12            13            14            15 
      1   0.235801D+01 -0.144860D+01  0.193779D+01 -0.392444D+01 -0.102268D+01
      2  -0.132436D+01  0.488703D+01 -0.166382D+01 -0.274997D+01 -0.181630D+01
      3  -0.451073D+01 -0.254074D+01  0.327064D+01 -0.110808D+02  0.167277D+01
                16            17            18            19            20 
      1  -0.610561D+00  0.648312D+01 -0.473909D+01  0.208680D+01  0.103873D+02
      2  -0.131190D+00 -0.237109D+01  0.144106D+02 -0.201412D+01  0.135769D+01
      3  -0.279754D+01  0.292449D+01  0.211553D+01  0.333620D+01  0.415148D+01
                21            22            23            24            25 
      1   0.286670D+01  0.100956D+02 -0.342292D+01  0.543356D+01  0.428424D+01
      2   0.242504D+01  0.148632D+01 -0.349185D-01 -0.559158D+00 -0.242427D+01
      3  -0.254834D+01  0.113001D+02  0.107870D+00 -0.823221D+01 -0.313705D+01
                26            27            28            29            30 
      1   0.141048D+02  0.345330D+01  0.738837D+00 -0.770866D+01 -0.501565D+01
      2  -0.147274D+01  0.141677D+01 -0.516058D+00  0.374592D+01  0.213665D+01
      3  -0.907416D+01 -0.271952D+01  0.148518D+01 -0.634239D+01 -0.169754D+01
                31            32            33            34            35 
      1  -0.721220D+01 -0.259094D+01 -0.799216D+01 -0.351001D+01 -0.725550D+00
      2   0.341744D+01  0.201699D+00  0.835005D+01 -0.515875D+01  0.100927D+02
      3   0.111576D+01 -0.413934D+01  0.626808D+01 -0.407632D+01  0.768206D+01
                36            37            38            39            40 
      1  -0.278938D+01  0.470409D+01  0.636625D+00 -0.119401D+00  0.213039D+01
      2  -0.157923D+01  0.471611D+01 -0.417664D+01  0.420085D+01 -0.627815D+01
      3  -0.383491D+01 -0.114979D+02 -0.101967D+02  0.118728D+01 -0.254641D+01
                41            42            43            44            45 
      1   0.440568D+00 -0.431550D+01 -0.955511D+00  0.531847D+01 -0.361123D+01
      2   0.658531D+01 -0.635137D+01 -0.702766D+01 -0.644109D+01 -0.591292D+01
      3   0.398911D+01 -0.536874D+01  0.141390D+01 -0.807801D+01  0.647318D+01
                46            47            48            49            50 
      1  -0.599610D+01 -0.757578D+00 -0.984636D+00  0.216589D+00  0.715266D-01
      2  -0.149484D+01 -0.102081D+01  0.132781D+01  0.250743D+00  0.427077D+00
      3   0.446826D+01  0.178499D+01  0.348483D+01  0.111669D+02  0.352639D+01
                51            52            53            54            55 
      1  -0.802781D+01 -0.284628D+01 -0.139268D+01  0.917537D+01  0.287609D+01
      2   0.237593D+01 -0.582625D+01 -0.117399D+00 -0.245068D+01  0.504085D+01
      3   0.402836D+00  0.633057D+01  0.223660D+00 -0.689912D+00 -0.656916D+00
                56            57            58            59            60 
      1   0.555987D+01  0.977932D+01  0.250666D+01  0.273758D+01  0.475404D+01
      2  -0.242627D+01  0.133940D+02 -0.257406D+01 -0.687975D+01 -0.104162D+02
      3  -0.200864D+01 -0.244077D+01  0.312228D+01  0.104905D+01  0.142948D+01
                61            62            63            64            65 
      1   0.848028D+01  0.834880D+01 -0.734323D+01 -0.191093D+01  0.418061D+00
      2   0.489801D+01 -0.734905D+01  0.647562D+00 -0.197999D+01  0.161989D+01
      3  -0.142982D+01  0.110152D+01  0.202320D+00 -0.125643D+01 -0.152727D+01
                66            67            68            69            70 
      1   0.298544D+01  0.131140D+01 -0.125022D+01 -0.288012D+01  0.387770D+01
      2   0.466116D+01  0.125627D+01 -0.363341D+01 -0.376129D+01  0.306726D+01
      3   0.364634D+00  0.149373D+01  0.266597D+01  0.169444D+01  0.165175D+01
                71            72            73            74            75 
      1  -0.374456D-01 -0.604218D+01 -0.601114D+01 -0.529003D+00  0.377114D+01
      2  -0.417815D+01 -0.834458D+01  0.101454D+02 -0.626386D-01 -0.517259D+01
      3   0.413161D+01  0.174714D+00 -0.166588D+02 -0.157877D+01  0.623466D+01
                76            77            78            79            80 
      1  -0.848206D-01 -0.268922D+01 -0.271254D+01  0.550116D+01  0.194708D+01
      2  -0.180315D+00  0.671741D+01  0.117109D+01 -0.128107D+02 -0.144565D+01
      3   0.101502D+02  0.223265D+02 -0.789876D+01  0.604488D+01 -0.734095D+01
                81            82            83            84            85 
      1   0.738332D+01  0.412275D+00 -0.211121D+00  0.547830D+00 -0.120229D+00
      2  -0.168945D+02 -0.337742D+01  0.249937D+00 -0.149609D+01  0.686920D+00
      3  -0.439414D+01 -0.215923D+01 -0.240406D+00 -0.563152D+00  0.230071D+01
                86            87            88            89            90 
      1   0.566177D+00 -0.537833D+00  0.947349D+00  0.277963D+01  0.467129D+01
      2  -0.178503D+01  0.160203D+01 -0.626584D+01  0.146509D+01 -0.145057D+02
      3   0.463197D+00  0.212614D+01 -0.129734D+01  0.189902D+01 -0.156695D+01
                91            92            93            94            95 
      1  -0.291474D+00 -0.144372D+01 -0.180890D+01 -0.631469D+00 -0.274283D+01
      2   0.438375D+01  0.103966D+01  0.211962D+01  0.170598D+01  0.771200D+00
      3   0.572780D+01 -0.187330D+01 -0.104803D+01  0.289848D+01 -0.175590D+01
                96            97            98            99           100 
      1  -0.141456D+01 -0.121705D+01  0.150877D+01  0.256427D+01 -0.962752D+01
      2   0.741275D+00 -0.150280D+01 -0.319913D+00 -0.142439D+01 -0.173734D+01
      3  -0.285526D+00 -0.183244D+01  0.611257D-01  0.131366D+01  0.826225D+01
               101           102           103           104           105 
      1  -0.218445D+01  0.200045D+01 -0.519764D+01  0.260521D+01 -0.131620D+02
      2   0.117926D+02  0.120230D+02  0.134695D+02 -0.393168D+01  0.283980D+01
      3  -0.740384D+00 -0.275759D+01  0.474409D+01 -0.243443D+01  0.781030D+01
               106           107           108           109           110 
      1   0.355928D+01 -0.590425D+01  0.609867D+01 -0.733958D+00  0.168144D+01
      2   0.568251D+01  0.171917D+01  0.128682D+01 -0.665285D+01  0.239048D+01
      3  -0.356259D+01  0.630442D+01 -0.466733D+01  0.173949D+02  0.756443D+01
               111           112           113           114           115 
      1  -0.346172D+00  0.252174D+01 -0.433673D+01  0.265804D+01 -0.238857D+01
      2   0.173145D+01  0.227937D+01 -0.832689D+01  0.103297D+02 -0.661579D+01
      3  -0.167731D+01  0.168351D+02 -0.841656D+01  0.603605D+01 -0.143784D+01
               116           117           118           119           120 
      1   0.768998D+01  0.542301D+01  0.120950D+01 -0.644436D-01 -0.818933D-01
      2   0.120579D+02  0.152279D+02 -0.432514D+00 -0.215361D+00  0.982567D+00
      3   0.663691D+01 -0.100265D+02 -0.567207D-01  0.524771D+00 -0.585765D+00
               121           122           123           124           125 
      1   0.309063D+00  0.259890D+01 -0.523796D+01  0.138256D+00 -0.787745D+00
      2  -0.864740D-01 -0.624082D+00  0.265174D+00 -0.143522D+01  0.236391D+00
      3   0.683156D+01 -0.128508D+01 -0.853958D-01 -0.140824D+01 -0.216447D+00
               126           127           128           129           130 
      1   0.332231D-02  0.205240D+01 -0.390575D+01 -0.175383D+01 -0.279482D+01
      2   0.167903D-01  0.728460D+01 -0.270805D+01 -0.331836D+01 -0.365865D+01
      3  -0.533607D-01 -0.159691D+01 -0.514621D+00  0.833825D+00  0.225878D+01
               131           132           133           134           135 
      1   0.442723D+01  0.118730D+01 -0.177628D+01  0.403607D+01  0.271329D+01
      2   0.270878D+01  0.241943D+01 -0.617938D+01  0.232518D+01  0.290896D+01
      3  -0.114937D+00 -0.130600D+00  0.128807D+01  0.462449D+00 -0.655913D+00
               136           137           138           139           140 
      1  -0.193287D+01  0.403691D+01 -0.247660D+01  0.210710D+01 -0.258656D+01
      2  -0.144912D+02  0.120744D+01 -0.484607D+01  0.314854D+01 -0.164880D+01
      3   0.133662D+01 -0.256609D+01  0.117560D+01  0.511703D+00  0.622933D+00
               141           142           143           144           145 
      1   0.346864D+00 -0.153666D+01  0.275793D+01 -0.110643D+01  0.430556D+01
      2   0.187654D+01 -0.729777D+01  0.762626D+00 -0.420431D+01  0.136474D+02
      3  -0.398078D+00  0.342736D+00 -0.163682D+01  0.926542D+00 -0.526919D+01
               146           147           148           149           150 
      1  -0.436122D+01 -0.447957D+00 -0.335030D+01  0.457490D+01  0.126193D+01
      2  -0.605573D+01 -0.473130D+01 -0.692923D+01  0.501309D+01  0.274551D+01
      3   0.167814D+01  0.157811D+01  0.424833D+01 -0.276739D+01 -0.221786D+01
               151           152           153           154           155 
      1  -0.132468D+01  0.346277D+01  0.923343D+00  0.595486D+01  0.530292D+01
      2  -0.727357D+01  0.337034D+01  0.543479D+01 -0.892268D+01 -0.417031D+01
      3   0.213880D+01 -0.132726D+01 -0.188075D+01 -0.230395D+01 -0.528233D+01
               156           157           158           159           160 
      1   0.597986D+00  0.490392D+01  0.539266D+01  0.139311D+01  0.630648D+00
      2   0.145433D+01 -0.590842D+01 -0.211707D+01  0.738189D+00 -0.146242D+01
      3  -0.135756D+01 -0.156491D+01 -0.480506D+01 -0.234499D+01 -0.137030D+00
               161           162           163           164           165 
      1   0.220585D+01  0.100791D+01 -0.940815D+00  0.185537D+01 -0.953641D+00
      2  -0.281349D+00 -0.122432D+01  0.489616D+00  0.324463D-01 -0.366499D+00
      3  -0.113110D+01 -0.481072D+00  0.712871D+00 -0.187088D+01  0.989685D+00
               166           167           168           169           170 
      1   0.281084D+01 -0.107044D+02  0.492437D+01 -0.193293D+01  0.726840D+01
      2   0.143249D+01  0.313654D+01 -0.578291D+01 -0.244896D+01 -0.290615D+01
      3  -0.576276D-01  0.717024D+01 -0.529307D+01  0.552469D+00 -0.413237D+01
               171           172           173           174           175 
      1  -0.592713D+01 -0.172230D+01  0.119301D+00 -0.623600D-01 -0.693012D-02
      2   0.552464D+01 -0.349666D+01  0.856327D+00  0.410919D+00  0.470571D+00
      3   0.465176D+01  0.760822D-01 -0.990413D+00  0.802289D+00 -0.697300D+00
               176           177           178           179           180 
      1  -0.296380D-01 -0.291326D+01  0.294050D+00  0.333463D+00 -0.820056D+01
      2  -0.311240D+01 -0.565017D+01 -0.148575D+01 -0.580949D+01 -0.203640D+02
      3   0.358385D+01  0.315962D+01  0.133321D+01  0.401035D+01  0.566244D+01
               181           182           183           184           185 
      1   0.133971D+01 -0.938123D+00  0.764532D+00 -0.176279D+01  0.373740D+01
      2   0.286477D+01 -0.190631D+01  0.200817D+01 -0.236460D+01  0.746980D+01
      3   0.149920D+01 -0.348258D+01  0.603581D+00 -0.379260D+01  0.163768D+02
               186           187           188           189           190 
      1  -0.567060D+01  0.122481D+01 -0.208964D+01  0.383978D+01 -0.380763D+00
      2  -0.694888D+01  0.172615D+01 -0.623852D+01  0.557405D+01  0.319344D+01
      3  -0.569498D+01  0.696367D+00 -0.776565D+01  0.525998D+01 -0.154718D+02
               191           192           193           194           195 
      1  -0.394642D+00  0.250880D+00 -0.615769D+00 -0.145258D+00 -0.979271D+00
      2   0.995911D+00  0.530912D+01  0.920473D+00  0.181101D+01  0.268176D+01
      3  -0.957272D+01 -0.486337D+00 -0.911792D+01 -0.829066D+01 -0.114859D+01
               196           197           198           199           200 
      1   0.103228D+01  0.505913D+00 -0.270868D+00  0.371517D+01  0.318933D+00
      2   0.256861D+01  0.212282D+00  0.957861D-01  0.502814D+01 -0.905931D+00
      3  -0.402101D+00 -0.174788D+01 -0.134787D+01 -0.489194D+01 -0.310322D+01
               201           202           203           204           205 
      1   0.298090D+01 -0.140669D+00  0.537640D+00 -0.166186D+01  0.302079D+01
      2   0.630442D+01 -0.289953D+00  0.149531D+01 -0.104310D+01  0.392901D+01
      3  -0.263260D+01  0.221607D+00 -0.173463D+01 -0.926648D+00 -0.472433D+01
               206           207           208           209           210 
      1  -0.395371D-01  0.473256D+01  0.120226D+01 -0.248804D+01  0.137545D+01
      2  -0.187830D+01  0.752101D+01 -0.691968D+00  0.333480D+00  0.102684D+01
      3  -0.349915D+01 -0.141802D+01 -0.331797D+01  0.114214D+01 -0.148058D+01
               211           212           213           214           215 
      1  -0.155245D+01  0.483170D+01 -0.700455D+01  0.353608D+00 -0.517951D+01
      2   0.991082D+00  0.168787D+00 -0.820049D+00 -0.185294D+01 -0.204698D+00
      3   0.421449D+01 -0.810728D+00  0.894655D+00 -0.386162D+01  0.130540D+01
               216           217           218           219           220 
      1   0.765685D+01 -0.367335D+01 -0.298547D+01 -0.446438D+01 -0.240715D+01
      2   0.713066D+00  0.135744D-01 -0.293880D+00  0.779895D+00 -0.885626D+00
      3   0.611436D-01  0.564631D+01  0.668764D+00  0.361911D+01  0.334961D+01
               221           222           223           224           225 
      1  -0.488094D+01 -0.641721D+01 -0.417674D+01 -0.555968D+01 -0.116036D+02
      2  -0.609108D+00  0.278555D+00 -0.209454D+01 -0.274192D+00 -0.927146D+00
      3   0.288142D+01  0.269181D+01  0.614333D+01  0.322302D+01  0.365542D+01
               226           227           228           229           230 
      1  -0.160707D+01  0.143100D+00 -0.209714D+01 -0.206748D+00 -0.973784D+00
      2   0.317222D+01  0.734729D+00  0.492331D+01  0.557335D+00  0.205296D+01
      3   0.227864D+01 -0.114328D+01  0.798077D+00 -0.689529D+00 -0.131117D+01
               231           232           233           234           235 
      1  -0.830081D+00 -0.281998D+01  0.179002D+01 -0.100905D+02  0.399496D+01
      2  -0.246859D+00  0.383453D+01  0.148736D+01  0.217978D+02 -0.530655D+01
      3  -0.174302D+01  0.115892D+01 -0.371223D+01  0.144584D+01  0.147866D+02
               236           237           238           239           240 
      1  -0.141956D+01 -0.234344D+01 -0.115737D+01  0.149022D+01  0.533611D+00
      2   0.897581D+00  0.754947D+01  0.109840D+01 -0.203413D+01 -0.286940D+01
      3  -0.696771D+01 -0.511352D+01 -0.598238D+01  0.345744D+01  0.339531D+01
               241           242           243           244           245 
      1  -0.300048D+01  0.208240D+01  0.169255D+01  0.603487D+00  0.180958D+00
      2   0.493673D+01 -0.989948D+00 -0.419916D+01 -0.168296D+01  0.226162D+00
      3  -0.548672D+01  0.459370D+01  0.411487D+01 -0.233229D+01  0.103010D+01
               246           247           248           249           250 
      1   0.132848D+00 -0.108866D+00 -0.274168D+00 -0.439188D+01 -0.705839D+00
      2   0.624177D+00  0.246932D+00 -0.422745D+01  0.390903D+01  0.356079D+00
      3  -0.938297D+00  0.216276D+00 -0.264516D+02  0.470082D+01 -0.103546D+01
               251           252 
      1  -0.602744D+00  0.636927D+00
      2   0.367228D+01 -0.902057D+00
      3   0.567310D+01 -0.308373D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.317810D+01  0.833831D+01 -0.110058D+02  0.733902D+01 -0.179748D+01
      2   0.140816D+01 -0.597443D+01  0.639337D+01 -0.525177D+01  0.503181D+01
      3   0.176994D+01 -0.236388D+01  0.461238D+01 -0.208725D+01 -0.323433D+01
      4   0.130145D+02 -0.520098D+01  0.196694D+00 -0.740588D+01 -0.104918D+02
      5  -0.299922D+01 -0.494267D+01 -0.139759D+02 -0.663651D+01  0.498467D+01
      6   0.617908D+00  0.655989D+01  0.862764D+01  0.718428D+01 -0.521257D+01
                 6             7             8             9            10 
      1  -0.251704D+00 -0.139073D+02 -0.118955D+01 -0.122707D+02 -0.239836D+01
      2  -0.912894D+00  0.949558D+01  0.124247D+01  0.620587D+01 -0.128758D+01
      3   0.116460D+01  0.441176D+01 -0.529179D-01  0.606482D+01  0.368594D+01
      4   0.804969D+01 -0.882830D+00  0.113711D+02  0.183186D+02 -0.175475D+02
      5   0.782345D+01 -0.202819D+02  0.122625D+02  0.369519D+01 -0.391637D+01
      6  -0.607105D+01  0.130732D+02 -0.753158D+01 -0.675626D+01 -0.910116D+00
                11            12            13            14            15 
      1  -0.112466D+02 -0.279533D+01 -0.150623D+02 -0.677494D+01 -0.163061D+01
      2   0.217148D+01  0.182291D+01  0.563457D+01  0.609157D+01  0.959175D-01
      3   0.907511D+01  0.972413D+00  0.942773D+01  0.683369D+00  0.153469D+01
      4  -0.113017D+02 -0.266263D+01 -0.112374D+02  0.124095D+02 -0.862174D+00
      5   0.199398D+01  0.545833D+01  0.188354D+01 -0.136035D+01 -0.280394D+01
      6  -0.164171D+01  0.124439D+01 -0.838603D+00 -0.120752D+01 -0.158569D+01
                16            17            18            19            20 
      1  -0.319701D+01 -0.387778D+01  0.194000D+02 -0.566323D+01 -0.490443D+01
      2   0.181056D+01 -0.211001D+01  0.300627D+01  0.609387D+01  0.768380D+00
      3   0.138645D+01  0.598779D+01 -0.224063D+02 -0.430642D+00  0.413605D+01
      4  -0.469904D+01 -0.477441D+01 -0.136770D+01  0.519071D+00 -0.201353D+01
      5   0.106031D+02 -0.268757D+01  0.136603D+02 -0.232799D+01  0.550098D+00
      6   0.162636D+01  0.239675D+00  0.117278D+02 -0.330899D+01 -0.147128D+02
                21            22            23            24            25 
      1   0.113929D+02 -0.634089D+01  0.164805D+02 -0.551263D+01  0.148256D+02
      2  -0.163702D+02  0.322469D+01 -0.199869D+02  0.738009D+01 -0.185013D+02
      3   0.497733D+01  0.311620D+01  0.350638D+01 -0.186746D+01  0.367570D+01
      4  -0.214586D+01  0.120581D+01  0.405021D+01 -0.126504D+02 -0.354461D+01
      5  -0.135284D+01  0.859383D+00 -0.602592D+01  0.173218D+00  0.135590D+00
      6   0.493880D+00 -0.132409D+02  0.118363D+02 -0.164269D+02 -0.274952D+01
                26            27            28            29            30 
      1  -0.793367D+01  0.153374D+02 -0.378985D+01 -0.651109D-01 -0.301722D+01
      2   0.103039D+02 -0.204093D+02  0.257710D+01  0.886322D+01  0.861790D+01
      3  -0.237027D+01  0.507191D+01  0.121275D+01 -0.879811D+01 -0.560068D+01
      4  -0.152139D+02 -0.321912D+01 -0.117995D+02 -0.125154D+02  0.122756D+02
      5  -0.500428D+00 -0.382838D+01  0.946688D+01  0.105977D+02 -0.100218D+02
      6  -0.248270D+02  0.982097D+00  0.779659D+01  0.111438D+02 -0.121255D+02
                31            32            33            34            35 
      1   0.799422D+00 -0.577616D+01  0.731472D+01 -0.278421D+01  0.124807D+02
      2   0.550592D+01  0.105330D+02 -0.534502D+01  0.818662D+01 -0.637711D+01
      3  -0.630534D+01 -0.475687D+01 -0.196970D+01 -0.540241D+01 -0.610359D+01
      4  -0.116734D+02 -0.467496D+01  0.563285D+01  0.156399D+02  0.686828D+01
      5   0.794293D+01  0.163724D+01 -0.296926D+01 -0.844831D+01 -0.263346D+01
      6   0.763559D+01  0.133268D+01 -0.452030D+01 -0.895266D+01  0.340498D+00
                36            37            38            39            40 
      1  -0.565466D+01  0.372660D+01  0.136670D+02  0.122321D+02  0.156197D+02
      2   0.836226D+01 -0.930640D+01 -0.893404D+01 -0.633183D+01 -0.825019D+01
      3  -0.270760D+01  0.557980D+01 -0.473293D+01 -0.590031D+01 -0.736952D+01
      4   0.109922D+00  0.117350D+02 -0.159687D+01 -0.914174D+01  0.107344D+00
      5  -0.852598D+00  0.131258D+02 -0.332153D+01  0.567951D+01 -0.243470D+01
      6  -0.853027D+00 -0.156549D+01  0.994023D-01  0.263750D+01  0.216602D+01
                41            42            43            44            45 
      1  -0.578315D+00 -0.264867D+01  0.140932D+02 -0.522620D+01  0.616320D+01
      2  -0.105568D+01  0.581403D+01 -0.714619D+01  0.404853D+01 -0.929248D+00
      3   0.163400D+01 -0.316535D+01 -0.694700D+01  0.117767D+01 -0.523395D+01
      4  -0.456324D+01  0.838392D+01 -0.116919D+02  0.746704D+01 -0.994001D+01
      5   0.108768D+02 -0.693580D+01  0.317272D+01 -0.831112D+01 -0.547510D+01
      6   0.137162D+00  0.406585D+01 -0.114145D+01 -0.635786D+00 -0.107469D+01
                46            47            48            49            50 
      1  -0.910312D+01 -0.807273D-01 -0.197331D+01  0.135644D+01  0.212767D+02
      2   0.590144D+01  0.391144D+01  0.387096D+01  0.990422D+00 -0.332458D+02
      3   0.320169D+01 -0.383071D+01 -0.189765D+01 -0.234686D+01  0.119691D+02
      4   0.362369D+01  0.412434D+01  0.346683D+01  0.358352D+01  0.121348D+01
      5  -0.447102D+01 -0.340743D+01 -0.298424D+01 -0.437713D+01 -0.637228D+01
      6   0.842125D+00  0.404440D+00 -0.369907D+01 -0.266964D+01 -0.376922D+01
                51            52            53            54            55 
      1  -0.570448D+01 -0.945398D+00 -0.210024D+01  0.161741D+00  0.501047D+01
      2  -0.799837D+00  0.347462D+01 -0.962866D+00  0.839548D+01  0.780001D+01
      3   0.650432D+01 -0.252922D+01  0.306311D+01 -0.855722D+01 -0.128105D+02
      4  -0.320059D+01  0.634953D+01  0.123027D+01  0.119645D+01  0.189357D+01
      5   0.982400D+00 -0.224020D+01  0.121535D+01 -0.135809D+01 -0.618469D+01
      6   0.131758D+00 -0.176830D+00  0.395194D+01 -0.191960D+01  0.683939D+00
                56            57            58            59            60 
      1  -0.705762D+01 -0.106218D+01 -0.605166D+01 -0.525220D+01  0.647790D+01
      2  -0.816884D+01 -0.140329D+00 -0.817002D+01 -0.139777D+01  0.511073D+01
      3   0.152265D+02  0.120251D+01  0.142217D+02  0.664997D+01 -0.115886D+02
      4  -0.159928D+01 -0.235934D+01 -0.872231D+00  0.165513D+01  0.312887D+01
      5   0.126442D+01 -0.132568D+02  0.279194D+01  0.681118D+01  0.993390D+01
      6   0.450518D+01  0.150741D+02  0.730307D+01  0.121865D+01  0.196848D+01
                61            62            63            64            65 
      1  -0.249686D+01  0.166446D+01 -0.280632D+01  0.104011D+02 -0.464586D+01
      2  -0.167224D+01  0.704030D+01 -0.155501D+01 -0.533592D+01  0.728576D+00
      3   0.416910D+01 -0.870476D+01  0.436132D+01 -0.506519D+01  0.391728D+01
      4  -0.614991D+01  0.380953D+00  0.377413D+01 -0.151060D+02  0.115932D+02
      5  -0.917665D+01  0.733709D+01  0.144821D+01 -0.124268D+02  0.664960D+01
      6   0.108055D+02 -0.121006D+01 -0.606432D+01  0.784647D+01 -0.621710D+01
                66            67            68            69            70 
      1  -0.424210D+01 -0.244693D+01 -0.337669D+01 -0.198419D+01 -0.539583D+01
      2   0.299002D+01 -0.127621D+01  0.771033D+01  0.307133D+01  0.471531D+01
      3   0.125208D+01  0.372314D+01 -0.433364D+01 -0.108714D+01  0.680528D+00
      4   0.878658D+01  0.132388D+02 -0.133518D+02 -0.109042D+02  0.129313D+02
      5   0.126554D+02  0.643871D+01 -0.915642D+01 -0.785883D+01  0.174499D+02
      6  -0.723065D+01 -0.717843D+01  0.109457D+02  0.104097D+02 -0.117204D+02
                71            72            73            74            75 
      1  -0.207475D+01 -0.413056D-01 -0.206433D+02  0.182016D+02  0.191527D+02
      2   0.240294D+01 -0.604756D+01  0.215880D+02 -0.617586D+01 -0.118711D+02
      3  -0.328191D+00  0.608887D+01 -0.944757D+00 -0.120257D+02 -0.728159D+01
      4  -0.145032D+02 -0.155073D+02  0.218975D+02  0.142252D+02 -0.280376D-01
      5  -0.112838D+02 -0.202729D+02  0.219770D+02 -0.491460D+01 -0.159331D+02
      6   0.132778D+02  0.176845D+02  0.419403D+01 -0.534226D+00 -0.443558D+01
                76            77            78            79            80 
      1   0.308103D+02  0.214553D+02 -0.963425D+01  0.226816D+02 -0.629683D+01
      2  -0.177730D+02 -0.297326D+02  0.112508D+02 -0.113935D+02  0.103883D+02
      3  -0.130372D+02  0.827730D+01 -0.161659D+01 -0.112880D+02 -0.409143D+01
      4   0.101964D+02 -0.257277D+02  0.905473D+01  0.308251D+01  0.101857D+02
      5  -0.639023D+01  0.105573D+02  0.356292D+01 -0.217212D+02 -0.119396D-01
      6   0.149626D+00  0.123689D+02 -0.893547D+00 -0.655714D+01 -0.177744D+01
                81            82            83            84            85 
      1  -0.164824D+02 -0.130767D+01  0.235851D+01 -0.270476D+01  0.216215D+01
      2   0.116645D+02 -0.267466D+01 -0.632948D+00  0.377826D+00 -0.709019D+00
      3   0.481791D+01  0.398232D+01 -0.172556D+01  0.232694D+01 -0.145313D+01
      4  -0.342925D+01  0.182304D+01  0.288508D+01 -0.929497D+00  0.384579D+01
      5  -0.259338D+02 -0.428610D+00 -0.658676D+00  0.528681D+01 -0.753146D+00
      6  -0.128564D+02 -0.144802D+01  0.475325D+00 -0.680447D+00  0.367192D+00
                86            87            88            89            90 
      1  -0.365814D+01  0.320543D+01 -0.434595D+01  0.326855D+01 -0.204436D+02
      2   0.775214D+00 -0.613794D+00  0.767215D+00  0.135132D+01 -0.134190D+02
      3   0.288293D+01 -0.259164D+01  0.357873D+01 -0.461987D+01  0.338626D+02
      4   0.452807D+00 -0.268386D+01 -0.248243D+01 -0.374390D+01  0.196528D+01
      5  -0.236358D+01  0.249558D+01  0.418147D+01  0.336664D+01 -0.174372D+02
      6  -0.350637D+01  0.770258D+01  0.610845D-01  0.627544D+01 -0.120684D+02
                91            92            93            94            95 
      1   0.144405D+02  0.343843D+01 -0.213496D+01  0.805613D+00 -0.366454D+01
      2  -0.751656D+01  0.620574D+00  0.261479D+01  0.257726D+01  0.935837D+01
      3  -0.692398D+01 -0.405901D+01 -0.479822D+00 -0.338288D+01 -0.569383D+01
      4   0.223929D+02  0.174622D+02 -0.112527D+02  0.151535D+02  0.162806D+02
      5  -0.191680D+02 -0.113887D+02  0.147767D+02 -0.862705D+01 -0.946118D+01
      6  -0.122514D+02 -0.106585D+02  0.974523D+01 -0.943332D+01 -0.131687D+02
                96            97            98            99           100 
      1   0.175910D+01 -0.747327D+00  0.157894D+01 -0.231716D+01 -0.220252D+01
      2  -0.158402D+01  0.240907D+01  0.198258D+00 -0.501972D+01  0.449542D+01
      3  -0.175085D+00 -0.166174D+01 -0.177719D+01  0.733688D+01 -0.229289D+01
      4  -0.858224D+01 -0.922132D+01 -0.791987D+01  0.932344D+01 -0.182745D+02
      5   0.659043D+01  0.132455D+02  0.836068D+01 -0.118552D+02 -0.145895D+02
      6   0.972290D+01  0.931201D+01  0.982252D+01 -0.113023D+02 -0.164411D+02
               101           102           103           104           105 
      1  -0.191209D+02 -0.126319D+02 -0.221568D+02  0.262971D+01 -0.771735D+01
      2   0.458818D+01  0.305526D+01  0.507785D+01  0.831165D+01 -0.679323D+01
      3   0.145327D+02  0.957663D+01  0.170789D+02 -0.109414D+02  0.145106D+02
      4  -0.829602D+01 -0.177903D+01 -0.104942D+02  0.250588D+01 -0.133761D+02
      5  -0.113966D+02 -0.799173D+01 -0.114368D+02 -0.150133D+02  0.100907D+02
      6  -0.615441D+01  0.289807D+01 -0.903244D+01  0.656318D+01 -0.185367D+02
               106           107           108           109           110 
      1  -0.112608D+02 -0.341210D+01 -0.268211D+01 -0.211775D+02 -0.284120D+02
      2   0.282317D+01 -0.651270D+01 -0.500122D+01  0.156085D+02  0.171332D+02
      3   0.843759D+01  0.992480D+01  0.768332D+01  0.556896D+01  0.112788D+02
      4   0.237170D+01 -0.946399D+01  0.101763D+02 -0.265829D+02 -0.224188D+01
      5  -0.685592D+01  0.107775D+02  0.661292D+01 -0.100301D+02  0.690801D+01
      6   0.665745D+01 -0.129769D+02  0.127184D+02  0.563092D+01 -0.278874D+01
               111           112           113           114           115 
      1  -0.934526D+01 -0.373097D+02 -0.355832D+01  0.224305D+01 -0.114973D+02
      2   0.221291D+01  0.240614D+02 -0.662160D+01  0.634610D+01  0.131066D+01
      3   0.713235D+01  0.132484D+02  0.101799D+02 -0.858915D+01  0.101866D+02
      4   0.750586D+01 -0.952951D+01  0.159486D+02 -0.144979D+02  0.994036D+01
      5   0.118427D+01  0.874760D+01 -0.132599D+02  0.146227D+02 -0.212392D+01
      6   0.317652D+00 -0.407189D+01  0.835231D+01 -0.802924D+01  0.327050D+01
               116           117           118           119           120 
      1   0.233472D+01  0.709536D+01 -0.247031D+00  0.144331D+01 -0.318120D+00
      2   0.786078D+01 -0.616168D+01  0.446163D+01 -0.196973D+01 -0.518290D+00
      3  -0.101955D+02 -0.933676D+00 -0.421460D+01  0.526418D+00  0.836409D+00
      4  -0.157277D+02  0.156049D+02  0.710951D-01  0.918486D+01 -0.102930D+01
      5   0.165344D+02  0.204047D+02  0.424507D+00  0.323781D+00  0.247962D+01
      6  -0.805956D+01 -0.899648D+01  0.186800D+00 -0.255322D+00 -0.149438D-01
               121           122           123           124           125 
      1   0.116919D+00 -0.286203D+02 -0.463048D+00 -0.608402D+00  0.162626D-01
      2   0.134275D+01  0.524866D+02 -0.444256D+00 -0.656594D+00 -0.136873D+01
      3  -0.145967D+01 -0.238663D+02  0.907304D+00  0.126500D+01  0.135246D+01
      4   0.791529D+01  0.118172D+01  0.268612D+00 -0.162576D+01 -0.405929D+00
      5   0.256743D+00  0.119742D+01  0.191161D+00  0.203988D+01  0.734576D-01
      6   0.388938D+00  0.524683D+01  0.667091D+01  0.581799D+00  0.804597D+01
               126           127           128           129           130 
      1  -0.434408D+01 -0.184226D+00  0.172230D+01  0.603425D+01  0.216120D+01
      2   0.393780D+01 -0.717444D+01  0.281282D+01  0.742054D+01  0.159366D+01
      3   0.406274D+00  0.735867D+01 -0.453511D+01 -0.134548D+02 -0.375486D+01
      4   0.236004D+00 -0.474894D+01  0.364921D+01  0.349174D+01  0.413544D+01
      5   0.886161D+00 -0.921019D+01  0.414812D+01  0.119515D+02  0.392106D+01
      6   0.569272D+00  0.518078D+01 -0.590334D+01 -0.709823D+01 -0.587471D+01
               131           132           133           134           135 
      1  -0.603374D+01 -0.880219D+01  0.405507D+01 -0.669948D+01 -0.173596D+02
      2   0.555975D-01 -0.352543D+01  0.550044D+01 -0.409979D+01 -0.155134D+02
      3   0.597814D+01  0.123276D+02 -0.955551D+01  0.107993D+02  0.328729D+02
      4  -0.365880D+01 -0.327101D+01  0.306415D+01 -0.273674D+01 -0.432499D+01
      5  -0.503957D+01 -0.505402D+01  0.102091D+02 -0.495605D+01 -0.125394D+02
      6   0.112490D+02  0.127998D+02 -0.589997D+01  0.988423D+01  0.152111D+02
               136           137           138           139           140 
      1   0.169888D+01  0.147459D+01 -0.521986D+01  0.120585D+01 -0.175681D+01
      2  -0.107837D+02  0.157351D+01 -0.104867D+02  0.232898D+01  0.341434D+00
      3   0.908484D+01 -0.304810D+01  0.157066D+02 -0.353482D+01  0.141538D+01
      4   0.462729D+00  0.367803D+01  0.240478D-01  0.332225D+01 -0.920888D+00
      5   0.191150D+02 -0.190724D+01  0.166932D+02 -0.364778D+01  0.279337D+01
      6  -0.230930D+01  0.412100D+01 -0.353775D+01  0.319900D+01 -0.373301D+01
               141           142           143           144           145 
      1   0.192237D+01 -0.245123D+01  0.905335D+00 -0.896502D+01 -0.790103D+01
      2   0.157243D+01 -0.790650D+01 -0.684448D-01 -0.120925D+02  0.164881D+01
      3  -0.349479D+01  0.103577D+02 -0.836891D+00  0.210576D+02  0.625222D+01
      4   0.128664D+01  0.597222D+00  0.151284D+01 -0.636921D+00  0.158936D+01
      5  -0.406063D+01  0.133319D+02 -0.212756D+01  0.142069D+02 -0.896223D+01
      6   0.571041D+01 -0.250250D+01  0.442902D+01 -0.187233D+01  0.672429D+01
               146           147           148           149           150 
      1   0.806959D+01  0.101907D+02  0.795487D+01 -0.859101D+01 -0.614291D+01
      2  -0.253810D+01  0.314327D+01 -0.329404D+01  0.320041D+01 -0.529484D+00
      3  -0.553149D+01 -0.133340D+02 -0.466083D+01  0.539060D+01  0.667239D+01
      4   0.745897D+00 -0.752308D+00  0.215420D+01  0.103083D+01  0.280522D+01
      5   0.426883D+01  0.209333D+01  0.565715D+01 -0.559856D+00 -0.858261D+00
      6  -0.553056D+01 -0.578996D+01 -0.382286D+01  0.721492D+01  0.903917D+01
               151           152           153           154           155 
      1   0.705743D+01 -0.583272D+01 -0.111891D+02  0.278009D+02  0.982160D+01
      2   0.136036D+01  0.501381D+00 -0.290735D+01 -0.159776D+02 -0.323811D+01
      3  -0.841778D+01  0.533134D+01  0.140965D+02 -0.118232D+02 -0.658349D+01
      4  -0.449335D+00  0.128976D+01  0.152224D+00  0.188940D+02  0.142386D+02
      5   0.503708D+01 -0.216095D+01 -0.288058D+01  0.275267D+02  0.122370D+02
      6  -0.497967D+01  0.758289D+01  0.610662D+01  0.120380D+02  0.946363D+01
               156           157           158           159           160 
      1   0.582825D+01  0.117708D+02  0.424685D+01  0.146085D+01  0.799691D+00
      2  -0.862337D+01 -0.393477D+01  0.283708D+00 -0.260306D+01 -0.449966D+01
      3   0.279511D+01 -0.783606D+01 -0.453056D+01  0.114221D+01  0.369997D+01
      4   0.680412D+01  0.163062D+02  0.147126D+02  0.775470D+01  0.260034D+01
      5   0.175306D+02  0.143826D+02  0.115701D+02  0.838974D+01  0.110972D+02
      6   0.576664D+01  0.104849D+02  0.997824D+01  0.905230D+01  0.376964D+01
               161           162           163           164           165 
      1   0.386780D-01  0.234073D+01  0.166896D+01 -0.593996D+00  0.345514D+01
      2  -0.140241D+01 -0.421189D+01 -0.369726D+01  0.191168D+01 -0.424237D+01
      3   0.136373D+01  0.187116D+01  0.202829D+01 -0.131768D+01  0.787228D+00
      4   0.293476D+01  0.372898D+01 -0.203701D+01  0.548258D+01 -0.284851D+01
      5   0.444784D+01  0.774117D+01  0.776385D+01 -0.378137D+01  0.921601D+01
      6   0.559126D+01  0.322019D+01 -0.270991D+01  0.308175D+01 -0.242232D+01
               166           167           168           169           170 
      1  -0.287937D+00 -0.786517D+01  0.103397D+02  0.110686D+01  0.669129D+01
      2   0.322750D+01 -0.227626D+00  0.766000D+01 -0.476426D+01  0.535883D+01
      3  -0.293957D+01  0.809279D+01 -0.179997D+02  0.365740D+01 -0.120501D+02
      4   0.771293D+01 -0.133218D+02  0.101174D+02 -0.315051D+01  0.674801D+01
      5  -0.819339D+01  0.107086D+02 -0.149987D+02  0.933353D+01 -0.873951D+01
      6   0.638549D+01 -0.215706D+02  0.193075D+02 -0.403329D+01  0.140570D+02
               171           172           173           174           175 
      1  -0.118536D+02  0.182813D+01  0.918272D+00 -0.447394D+01  0.206337D+01
      2  -0.117796D+02 -0.284418D+01  0.472035D-01  0.323944D+01 -0.205721D+01
      3   0.236332D+02  0.101606D+01 -0.965475D+00  0.123451D+01 -0.615791D-02
      4  -0.828504D+01  0.612697D+00  0.190071D+01  0.314887D+01  0.555405D+01
      5   0.153072D+02 -0.469584D+01  0.185900D+01  0.612633D+01  0.257595D+01
      6  -0.162025D+02  0.248272D+01 -0.561956D+00 -0.152803D+01 -0.166352D+01
               176           177           178           179           180 
      1  -0.212456D+01 -0.306451D+01 -0.888567D+01 -0.187587D+01 -0.693492D+01
      2   0.382425D+01  0.181772D+01  0.537753D+01  0.147445D+01 -0.504595D+01
      3  -0.169969D+01  0.124679D+01  0.350815D+01  0.401424D+00  0.119809D+02
      4  -0.848996D+01 -0.606524D+01  0.713819D+01 -0.850000D+01 -0.112452D+02
      5  -0.600200D+01 -0.978973D+01  0.119143D+02 -0.119772D+02 -0.335871D+02
      6   0.547521D+01  0.946285D+01 -0.419032D+01  0.999251D+01  0.171677D+02
               181           182           183           184           185 
      1   0.899098D+01 -0.438287D+01  0.439472D+01 -0.512255D+01 -0.311250D+01
      2  -0.142906D+01 -0.838825D+00 -0.959516D+00 -0.552777D+01  0.231821D+02
      3  -0.756192D+01  0.522170D+01 -0.343520D+01  0.106503D+02 -0.200696D+02
      4  -0.821946D+01  0.120466D+02 -0.536309D+01  0.215633D+02 -0.372097D+02
      5   0.499879D+01 -0.416026D+01  0.346717D+01 -0.611414D+01  0.120173D+02
      6  -0.324867D+01  0.159449D+01 -0.100103D+01  0.374461D+01 -0.969984D+01
               186           187           188           189           190 
      1   0.159979D+01  0.855091D+01  0.809169D+00 -0.217450D+01  0.680303D+02
      2  -0.709682D+01 -0.137895D+01 -0.823766D+01  0.348625D+01 -0.372020D+02
      3   0.549702D+01 -0.717196D+01  0.742850D+01 -0.131175D+01 -0.308282D+02
      4   0.127314D+02 -0.116655D+02  0.171683D+02 -0.117234D+02  0.828266D+01
      5  -0.114629D+02  0.743952D+01 -0.118870D+02  0.101902D+02 -0.634518D+00
      6   0.892915D+01 -0.439711D+01  0.959796D+01 -0.782510D+01 -0.167185D+01
               191           192           193           194           195 
      1   0.163863D+02  0.217500D+01  0.332694D+02  0.124195D+02  0.361499D+00
      2  -0.102579D+02 -0.925175D+00 -0.186697D+02 -0.554005D+01 -0.953252D+00
      3  -0.612835D+01 -0.124982D+01 -0.145997D+02 -0.687944D+01  0.591753D+00
      4   0.109310D+02 -0.116425D-01  0.134108D+02  0.109407D+02  0.228009D+01
      5  -0.611678D+00  0.819951D+01 -0.190212D+01  0.142855D+01  0.451230D+01
      6  -0.660118D+00 -0.832547D+00 -0.701088D+00 -0.171851D+01  0.149675D+01
               196           197           198           199           200 
      1   0.609541D+01  0.280869D+00  0.631547D+01  0.248875D+02 -0.367946D+01
      2  -0.256707D+01 -0.140065D+01 -0.427345D+01 -0.127383D+02  0.139075D+00
      3  -0.352834D+01  0.111978D+01 -0.204202D+01 -0.121492D+02  0.354039D+01
      4  -0.100142D+01  0.305127D+01  0.609825D+00 -0.150725D+02  0.955869D+01
      5   0.103759D+02  0.151144D+01 -0.594130D-01  0.135700D+02 -0.225044D+01
      6  -0.555924D+00  0.184889D+01  0.788206D+00 -0.525854D+01  0.916027D+00
               201           202           203           204           205 
      1   0.105349D+02 -0.909495D+00  0.304406D+01  0.513718D+00  0.157194D+02
      2  -0.597384D+01 -0.120697D+01 -0.921218D+00 -0.111030D+01 -0.952316D+01
      3  -0.456104D+01  0.211646D+01 -0.212284D+01  0.596586D+00 -0.619623D+01
      4  -0.631332D+01  0.817459D+01 -0.342901D+01  0.357701D+01 -0.924398D+01
      5   0.112363D+02 -0.693478D+00  0.357723D+01 -0.245014D+01  0.140303D+02
      6  -0.462311D+01  0.165588D+01 -0.186545D+01  0.379650D+01 -0.652017D+01
               206           207           208           209           210 
      1   0.103620D+00  0.744591D+01 -0.157573D+01  0.458771D+01 -0.280330D+01
      2  -0.209997D+01 -0.682102D+01  0.501648D+01 -0.848529D+01  0.401821D+01
      3   0.199635D+01 -0.624895D+00 -0.344075D+01  0.389758D+01 -0.121491D+01
      4   0.672495D+01 -0.959727D+01 -0.683229D+01  0.119666D+02 -0.498441D+01
      5  -0.522813D+01  0.132553D+02  0.224764D+01 -0.374670D+01  0.419069D+01
      6   0.406448D+01 -0.613372D+01 -0.539424D+01  0.694538D+01 -0.376290D+01
               211           212           213           214           215 
      1   0.351277D+01 -0.300869D+02  0.128353D+02 -0.364779D+01  0.191312D+02
      2  -0.695427D+01  0.459126D+02 -0.166619D+02  0.528984D+01 -0.234364D+02
      3   0.344150D+01 -0.158257D+02  0.382650D+01 -0.164205D+01  0.430517D+01
      4   0.785622D+01 -0.119095D+02  0.578395D+01 -0.503744D+01  0.833825D+01
      5  -0.219743D+01  0.469094D+01 -0.253989D+01  0.368846D+01 -0.459203D+01
      6   0.532488D+01 -0.255475D+02  0.176696D+02 -0.403043D+01  0.254030D+02
               216           217           218           219           220 
      1  -0.157369D+02 -0.140405D+01 -0.488215D+01 -0.346394D+01 -0.318388D+01
      2   0.134029D+02  0.346795D+01  0.100572D+02  0.520171D+01  0.637086D+01
      3   0.233398D+01 -0.206390D+01 -0.517503D+01 -0.173777D+01 -0.318698D+01
      4  -0.479786D+01  0.807375D+01  0.829563D+01  0.546588D+01  0.573340D+01
      5   0.436238D+01  0.287345D+01  0.200156D+01  0.389821D+01  0.145241D+01
      6  -0.206109D+02  0.617907D+01  0.600905D+01  0.505527D+01  0.515095D+01
               221           222           223           224           225 
      1  -0.163088D+02 -0.693149D+01 -0.581399D+01 -0.115880D+02 -0.117122D+02
      2   0.254202D+02  0.994883D+01  0.578273D+01  0.160249D+02  0.110944D+02
      3  -0.911133D+01 -0.301734D+01  0.312506D-01 -0.443689D+01  0.617773D+00
      4   0.658679D+01  0.433803D+01  0.663912D+01  0.568485D+01  0.502457D+01
      5   0.214268D+01  0.120621D+01  0.372343D+01  0.171317D+01  0.314098D+01
      6   0.116911D+02  0.126401D+02  0.636024D+01  0.174792D+02  0.174049D+02
               226           227           228           229           230 
      1   0.109056D+02 -0.605639D+00  0.581374D+01 -0.495411D+01 -0.184520D+01
      2  -0.819295D+01  0.336068D+00 -0.409750D+01  0.358583D+01  0.298129D+01
      3  -0.271267D+01  0.269571D+00 -0.171624D+01  0.136828D+01 -0.113609D+01
      4   0.189765D+01  0.140158D+01  0.322504D+01  0.249722D+01  0.387021D+01
      5   0.719456D+01  0.188618D+01  0.122764D+02  0.111906D+01  0.407662D+01
      6   0.296454D+01  0.883369D+00  0.362466D+01  0.132983D+01  0.950857D+00
               231           232           233           234           235 
      1  -0.234659D+00  0.127096D+02  0.151317D+01  0.528717D+01  0.681382D+02
      2   0.123612D+01 -0.767093D+01  0.113769D+01 -0.116409D+02 -0.399113D+02
      3  -0.100146D+01 -0.503864D+01 -0.265086D+01  0.635375D+01 -0.282269D+02
      4   0.439088D+01  0.854515D+01  0.882884D+01  0.586446D+01  0.586444D+01
      5   0.198104D+00  0.179189D+02  0.407501D+01  0.381321D+02 -0.264483D+02
      6   0.388795D+01  0.611651D+01  0.525654D+01  0.170341D+02 -0.436960D+01
               236           237           238           239           240 
      1  -0.714090D+01 -0.194328D+02 -0.216200D+02  0.592436D+01  0.575072D+01
      2   0.580938D+01  0.131969D+02  0.137905D+02 -0.226087D+01 -0.548741D+01
      3   0.133152D+01  0.623595D+01  0.782955D+01 -0.366349D+01 -0.263319D+00
      4   0.843881D+01 -0.144310D+01  0.683364D+01 -0.315310D+01 -0.454096D+01
      5   0.246836D+01  0.176569D+02  0.750977D+01 -0.566481D+01 -0.629689D+01
      6  -0.920459D+00  0.371903D+01 -0.771223D+00 -0.462473D+00  0.697095D+00
               241           242           243           244           245 
      1  -0.250345D+02  0.224094D+01  0.136250D+02  0.106709D+01  0.622047D+01
      2   0.170560D+02 -0.374938D+01 -0.125828D+02  0.209486D+01 -0.417266D+01
      3   0.797851D+01  0.150843D+01 -0.104220D+01 -0.316195D+01 -0.204781D+01
      4  -0.365995D+01 -0.683202D+01  0.900263D+00  0.344529D+01  0.542674D+01
      5   0.224402D+02 -0.203564D+01 -0.138886D+02 -0.312811D+01 -0.815686D+00
      6   0.424911D+01  0.209592D+01 -0.159522D+01 -0.248099D+01  0.336508D+00
               246           247           248           249           250 
      1  -0.369589D+01  0.458363D+01 -0.216752D+02  0.503635D+01 -0.511707D+01
      2   0.192234D+01  0.359244D+01  0.454498D+02 -0.703926D+01  0.187885D+01
      3   0.177356D+01 -0.817607D+01 -0.237745D+02  0.200291D+01  0.323822D+01
      4  -0.149351D+01  0.165765D+02  0.479355D+02 -0.828656D+01 -0.439348D+01
      5   0.196598D+01 -0.213496D+01 -0.879092D+01  0.730624D+01  0.534496D+01
      6  -0.421966D+00 -0.250889D+01 -0.132461D+02  0.940843D+01  0.239622D+01
               251           252 
      1   0.514711D+01 -0.254138D+01
      2  -0.740999D+01  0.351825D+01
      3   0.226289D+01 -0.976873D+00
      4  -0.996336D+01  0.708863D+01
      5   0.732945D+01 -0.241251D+01
      6   0.102515D+02 -0.463050D+01
 Leave Link  716 at Thu Jul 22 19:21:17 2021, MaxMem= 17179869184 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.125865D+03 -0.127800D+00  0.662815D+00
      2  -0.127800D+00  0.112470D+03 -0.146836D+00
      3   0.662815D+00 -0.146836D+00  0.108506D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.214334D+01  0.114482D+01  0.216386D+01
      2   0.333186D+01 -0.931529D+00  0.542078D+01
      3   0.420320D+01  0.292039D+01 -0.130800D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.430350D+01 -0.198155D+02  0.115813D+02
      2  -0.637888D+01  0.987168D+01 -0.376462D+01
      3   0.106824D+02  0.994381D+01 -0.781664D+01
      4  -0.272041D+02 -0.942852D+01  0.278445D+01
      5   0.184201D+02  0.176164D+01  0.152892D+02
      6   0.131538D+01  0.470988D+01 -0.366633D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    84 ND12= 1 LenFil=    3027:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.989979D+00 -0.276584D+01  0.113199D+01 -0.317655D+01  0.687922D-01
      2  -0.276584D+01 -0.453995D+00  0.132447D+01  0.687922D-01  0.321684D+01
      3   0.113199D+01  0.132447D+01  0.291412D+01  0.171654D+01 -0.134739D+01
                 6             7             8             9            10 
      1   0.171654D+01  0.881979D+00  0.203360D+01  0.420644D+01 -0.709321D-01
      2  -0.134739D+01  0.203360D+01 -0.207375D+01 -0.214082D+01  0.353717D+01
      3  -0.160994D+01  0.420644D+01 -0.214082D+01 -0.351066D+00  0.159120D+01
                11            12            13            14            15 
      1   0.353717D+01  0.159120D+01  0.441359D+01  0.748925D+00  0.653878D-01
      2   0.149744D+01 -0.179615D+00  0.748925D+00 -0.514886D+01  0.679080D+00
      3  -0.179615D+00 -0.201448D+01  0.653878D-01  0.679080D+00  0.112096D+01
                16            17            18            19            20 
      1   0.246670D+01 -0.235732D-01 -0.235072D+01  0.877788D+00  0.182791D+01
      2  -0.235732D-01  0.145814D+01  0.132683D+01  0.182791D+01  0.670604D+00
      3  -0.235072D+01  0.132683D+01 -0.625486D+01 -0.762897D+00 -0.340799D+01
                21            22            23            24            25 
      1  -0.762897D+00  0.220296D+01  0.553506D+00 -0.322833D+01 -0.696357D+00
      2  -0.340799D+01  0.553506D+00 -0.383875D+01  0.158799D+01 -0.392012D+01
      3  -0.676236D+00 -0.322833D+01  0.158799D+01 -0.264329D+01 -0.871582D+00
                26            27            28            29            30 
      1  -0.392012D+01 -0.871582D+00 -0.250706D+01 -0.231330D+01  0.735192D+00
      2   0.207976D+01 -0.398211D+01 -0.231330D+01 -0.181558D+01  0.461167D+01
      3  -0.398211D+01 -0.404528D+00  0.735192D+00  0.461167D+01 -0.141736D+01
                31            32            33            34            35 
      1  -0.257528D+01 -0.156498D+01  0.458954D+01  0.847323D+00  0.520947D+01
      2  -0.156498D+01  0.164807D+01  0.410445D+00  0.520947D+01 -0.596688D+00
      3   0.458954D+01  0.410445D+00  0.250377D+01 -0.143291D+01  0.230680D+01
                36            37            38            39            40 
      1  -0.143291D+01  0.461733D+01  0.469725D+01  0.326179D+01  0.562630D+01
      2   0.230680D+01  0.469725D+01  0.136588D+01 -0.144244D+01  0.249653D+01
      3  -0.721206D+00  0.326179D+01 -0.144244D+01  0.566484D+00 -0.210600D+01
                41            42            43            44            45 
      1   0.249653D+01 -0.210600D+01  0.414207D+01 -0.207370D+01  0.212634D+00
      2  -0.303468D+01  0.310056D+01 -0.207370D+01  0.398190D+01 -0.261228D+01
      3   0.310056D+01 -0.256109D+01  0.212634D+00 -0.261228D+01 -0.197375D+01
                46            47            48            49            50 
      1  -0.371439D+01 -0.331068D+01 -0.296864D+01 -0.388327D+01 -0.236015D+00
      2  -0.331068D+01 -0.354092D+00 -0.223185D+00 -0.236015D+00  0.805802D+01
      3  -0.296864D+01 -0.223185D+00 -0.100875D+01 -0.237503D-01 -0.757497D+00
                51            52            53            54            55 
      1  -0.237503D-01 -0.522583D+01 -0.413572D+00 -0.255468D+00  0.159689D+01
      2  -0.757497D+00 -0.413572D+00 -0.542172D+00 -0.210924D+01 -0.254551D+00
      3  -0.243907D+01 -0.255468D+00 -0.210924D+01  0.386054D+01  0.326937D+01
                56            57            58            59            60 
      1  -0.254551D+00  0.326937D+01 -0.568772D+00 -0.188995D+01 -0.329219D+01
      2  -0.163326D+01 -0.342216D+01 -0.188995D+01 -0.149627D+01 -0.176025D+01
      3  -0.342216D+01  0.519764D+00 -0.329219D+01 -0.176025D+01  0.251865D+01
                61            62            63            64            65 
      1   0.294375D+01 -0.254267D+01  0.487444D+00 -0.307715D+01  0.183790D+01
      2  -0.254267D+01 -0.124585D+01  0.203122D+01  0.183790D+01 -0.126682D+01
      3   0.487444D+00  0.203122D+01 -0.627297D+00  0.185526D+01 -0.110383D+01
                66            67            68            69            70 
      1   0.185526D+01  0.176733D+01 -0.167346D+01 -0.120958D+01  0.289143D+01
      2  -0.110383D+01 -0.167346D+01  0.243745D+01  0.198762D+01 -0.173460D+01
      3  -0.191474D+01 -0.120958D+01  0.198762D+01  0.170476D+01 -0.307268D+01
                71            72            73            74            75 
      1  -0.173460D+01 -0.307268D+01  0.170792D+01 -0.383768D+01 -0.283015D+01
      2   0.264559D+01  0.243229D+01 -0.383768D+01 -0.170273D+01  0.621665D+00
      3   0.243229D+01  0.429789D+01 -0.283015D+01  0.621665D+00  0.243335D+01
                76            77            78            79            80 
      1  -0.532055D+01 -0.468529D+00  0.558416D+00 -0.358752D+01  0.258018D+00
      2  -0.468529D+00  0.621581D+01 -0.202985D+01  0.258018D+00 -0.222467D+01
      3   0.558416D+00 -0.202985D+01 -0.471404D+00  0.305879D+01 -0.773477D-02
                81            82            83            84            85 
      1   0.305879D+01  0.612139D+00 -0.634921D+00  0.105059D+01 -0.904082D+00
      2  -0.773477D-02 -0.634921D+00 -0.118571D+00 -0.230733D-01 -0.179004D+00
      3   0.481975D+01  0.105059D+01 -0.230733D-01  0.588030D+00  0.904618D-01
                86            87            88            89            90 
      1  -0.179004D+00  0.904618D-01  0.178321D+01  0.266219D+00  0.444833D+00
      2  -0.300122D+00  0.119641D+01  0.266219D+00  0.114455D+01 -0.127256D+01
      3   0.119641D+01 -0.112229D+01  0.444833D+00 -0.127256D+01  0.801927D+01
                91            92            93            94            95 
      1   0.585023D+01  0.303437D+01 -0.250766D+01  0.243865D+01  0.229286D+01
      2   0.303437D+01  0.278594D+01 -0.191637D+01  0.229286D+01  0.364431D+01
      3  -0.250766D+01 -0.191637D+01  0.222322D+01 -0.161095D+01 -0.166508D+01
                96            97            98            99           100 
      1  -0.161095D+01 -0.199152D+01 -0.160890D+01  0.224833D+01 -0.181212D+01
      2  -0.166508D+01 -0.160890D+01 -0.141835D+01  0.159226D+01 -0.460210D+01
      3   0.123229D+01  0.224833D+01  0.159226D+01 -0.260906D+01 -0.310832D+01
               101           102           103           104           105 
      1  -0.460210D+01 -0.310832D+01 -0.501940D+01 -0.179814D+01  0.116249D+01
      2  -0.122362D+01  0.892360D+00 -0.179814D+01  0.120894D+01 -0.392329D+01
      3   0.892360D+00  0.475236D+00  0.116249D+01 -0.392329D+01  0.291038D+01
               106           107           108           109           110 
      1  -0.296187D+01  0.142105D+01  0.453692D+00 -0.208737D+01 -0.440363D+01
      2   0.142105D+01 -0.323946D+01  0.259063D+01 -0.440363D+01 -0.952125D+00
      3   0.453692D+00  0.259063D+01  0.148439D+01 -0.205834D+01  0.117047D+01
               111           112           113           114           115 
      1  -0.205834D+01 -0.533666D+01 -0.244460D+01  0.153039D+01 -0.234036D+01
      2   0.117047D+01 -0.244460D+01  0.311052D+01 -0.257800D+01  0.137665D+01
      3   0.233293D+00  0.153039D+01 -0.257800D+01  0.279911D+01 -0.448860D+00
               116           117           118           119           120 
      1   0.137665D+01 -0.448860D+00  0.238022D-01 -0.122053D+01  0.505574D+00
      2  -0.298355D+01  0.322209D+01 -0.122053D+01  0.392101D+00 -0.724870D-01
      3   0.322209D+01  0.418182D+01  0.505574D+00 -0.724870D-01  0.793966D-01
               121           122           123           124           125 
      1  -0.152508D+01 -0.311047D+00  0.985394D-01  0.778159D+00  0.950465D-01
      2  -0.311047D+00 -0.106865D+02  0.894751D-01  0.950465D-01  0.260039D+00
      3   0.985394D-01  0.894751D-01 -0.840814D+00 -0.975357D-01 -0.120853D+01
               126           127           128           129           130 
      1  -0.975357D-01  0.226032D+01 -0.101866D+01 -0.207840D+01 -0.107148D+01
      2  -0.120853D+01 -0.101866D+01  0.124593D+01  0.119528D+01  0.113716D+01
      3  -0.123773D+00 -0.207840D+01  0.119528D+01  0.258904D+01  0.115686D+01
               131           132           133           134           135 
      1   0.113716D+01  0.115686D+01 -0.175012D+01  0.933590D+00  0.208798D+01
      2  -0.188257D+01 -0.175774D+01  0.933590D+00 -0.149426D+01 -0.229687D+01
      3  -0.175774D+01 -0.269910D+01  0.208798D+01 -0.229687D+01 -0.597149D+01
               136           137           138           139           140 
      1  -0.483697D+01  0.416242D+00 -0.313550D+01  0.958539D+00 -0.723243D+00
      2   0.416242D+00 -0.819889D+00  0.646614D+00 -0.723243D+00  0.739880D+00
      3  -0.313550D+01  0.646614D+00 -0.346294D+01  0.914118D+00 -0.786104D+00
               141           142           143           144           145 
      1   0.914118D+00 -0.239585D+01  0.458639D+00 -0.241794D+01 -0.352788D+01
      2  -0.786104D+00  0.458639D+00 -0.497655D+00  0.190769D+00  0.179970D+01
      3   0.815701D+00 -0.241794D+01  0.190769D+00 -0.415764D+01  0.120650D+01
               146           147           148           149           150 
      1   0.179970D+01  0.120650D+01  0.200906D+01 -0.101066D+01 -0.612736D+00
      2  -0.130101D+01 -0.899842D+00 -0.101066D+01  0.169943D+01  0.148629D+01
      3  -0.899842D+00 -0.241032D+01 -0.612736D+00  0.148629D+01  0.131370D+01
               151           152           153           154           155 
      1   0.128891D+01 -0.729587D+00 -0.142603D+01  0.642682D+01  0.292084D+01
      2  -0.729587D+00  0.121511D+01  0.923906D+00  0.292084D+01  0.220814D+01
      3  -0.142603D+01  0.923906D+00  0.218071D+01  0.259151D+01  0.100544D+01
               156           157           158           159           160 
      1   0.259151D+01  0.348529D+01  0.252821D+01  0.118802D+01  0.102605D+01
      2   0.100544D+01  0.252821D+01  0.255978D+01  0.160884D+01  0.375755D+00
      3   0.226235D+01  0.118802D+01  0.160884D+01  0.115632D+01  0.135565D+01
               161           162           163           164           165 
      1   0.375755D+00  0.135565D+01  0.109989D+01 -0.451725D+00  0.142545D+01
      2   0.632389D+00  0.595642D+00 -0.451725D+00  0.647108D+00 -0.443870D+00
      3   0.595642D+00  0.889975D+00  0.142545D+01 -0.443870D+00  0.783239D+00
               166           167           168           169           170 
      1  -0.111233D+01  0.127719D+01 -0.129753D+01  0.118907D+01 -0.731235D+00
      2   0.127719D+01 -0.410991D+01  0.318475D+01 -0.731235D+00  0.212099D+01
      3  -0.129753D+01  0.318475D+01 -0.440173D+01  0.117555D+01 -0.267685D+01
               171           172           173           174           175 
      1   0.117555D+01  0.137013D+00  0.153146D+00 -0.993197D+00  0.564380D-01
      2  -0.267685D+01  0.153146D+00  0.743939D-01  0.164264D+00  0.728511D+00
      3   0.459380D+01 -0.993197D+00  0.164264D+00  0.399723D+00  0.309123D+00
               176           177           178           179           180 
      1   0.728511D+00  0.309123D+00 -0.207309D+01  0.765309D+00  0.128867D+01
      2  -0.162829D+01 -0.122887D+01  0.765309D+00 -0.149284D+01 -0.218705D+01
      3  -0.122887D+01 -0.182964D+01  0.128867D+01 -0.218705D+01 -0.639272D+01
               181           182           183           184           185 
      1   0.157960D+01 -0.101084D+01  0.881529D+00 -0.204008D+01  0.295947D+01
      2  -0.101084D+01  0.102456D+01 -0.521332D+00  0.295947D+01 -0.649407D+01
      3   0.881529D+00 -0.521332D+00  0.251279D+00 -0.954373D+00  0.224992D+01
               186           187           188           189           190 
      1  -0.954373D+00  0.210175D+01 -0.150988D+01  0.105659D+01  0.897602D+01
      2   0.224992D+01 -0.150988D+01  0.300629D+01 -0.214021D+01  0.205378D+01
      3  -0.193107D+01  0.105659D+01 -0.214021D+01  0.177065D+01  0.332993D+00
               191           192           193           194           195 
      1   0.205378D+01  0.332993D+00  0.489200D+01  0.205615D+01 -0.126931D+00
      2   0.146832D+01  0.572339D-02  0.205615D+01  0.157753D+01  0.369220D+00
      3   0.572339D-02  0.817868D+00 -0.126931D+00  0.369220D+00  0.520176D+00
               196           197           198           199           200 
      1   0.978087D+00 -0.111570D+00  0.124474D+01 -0.468577D+01  0.105117D+01
      2  -0.111570D+00  0.508884D+00  0.102074D+00  0.105117D+01 -0.114577D+01
      3   0.124474D+01  0.102074D+00 -0.818415D-01 -0.218489D+01  0.364977D+00
               201           202           203           204           205 
      1  -0.218489D+01  0.728713D+00 -0.938207D+00  0.136013D+00 -0.333158D+01
      2   0.364977D+00 -0.938207D+00  0.142724D+00 -0.545315D+00  0.265760D+00
      3  -0.172830D+01  0.136013D+00 -0.545315D+00  0.427120D+00 -0.223024D+01
               206           207           208           209           210 
      1   0.265760D+00 -0.223024D+01 -0.126691D+01  0.137333D+01 -0.756556D+00
      2  -0.128390D+01  0.922994D+00  0.137333D+01 -0.172144D+01  0.104354D+01
      3   0.922994D+00 -0.254969D+01 -0.756556D+00  0.104354D+01 -0.443791D+00
               211           212           213           214           215 
      1   0.964381D+00 -0.138073D+01  0.765634D+00 -0.110834D+01  0.128345D+01
      2  -0.138073D+01  0.783815D+01 -0.319202D+01  0.128345D+01 -0.474073D+01
      3   0.765634D+00 -0.319202D+01  0.222164D+01 -0.523017D+00  0.352684D+01
               216           217           218           219           220 
      1  -0.523017D+00  0.176713D+01  0.955026D+00  0.123725D+01  0.723248D+00
      2   0.352684D+01  0.955026D+00  0.183077D+01  0.119433D+01  0.113896D+01
      3  -0.313252D+01  0.123725D+01  0.119433D+01  0.122404D+01  0.852945D+00
               221           222           223           224           225 
      1   0.113896D+01  0.852945D+00  0.162875D+01  0.118839D+01  0.129647D+01
      2   0.438020D+01  0.189859D+01  0.118839D+01  0.302726D+01  0.276294D+01
      3   0.189859D+01  0.183588D+01  0.129647D+01  0.276294D+01  0.349289D+01
               226           227           228           229           230 
      1  -0.158209D+01  0.152794D+00 -0.106529D+01  0.699710D+00 -0.345664D+00
      2   0.152794D+00 -0.506140D-01 -0.245590D+00 -0.345664D+00 -0.721384D+00
      3  -0.106529D+01 -0.245590D+00 -0.135148D+01 -0.138386D+00 -0.709955D+00
               231           232           233           234           235 
      1  -0.138386D+00 -0.258719D+01 -0.872231D+00 -0.227185D+01 -0.910286D+01
      2  -0.709955D+00 -0.872231D+00 -0.133056D+01 -0.675292D+00  0.750884D+00
      3  -0.194028D-01 -0.227185D+01 -0.675292D+00 -0.630776D+01  0.285553D+01
               236           237           238           239           240 
      1   0.750884D+00  0.285553D+01  0.315439D+01 -0.110669D+01 -0.792444D+00
      2  -0.100465D+01 -0.297165D+00 -0.110669D+01  0.376438D+00  0.778192D+00
      3  -0.297165D+00 -0.186560D+01 -0.792444D+00  0.778192D+00  0.759031D+00
               241           242           243           244           245 
      1   0.400134D+01 -0.762100D-01 -0.257265D+01 -0.251366D+00 -0.737054D+00
      2  -0.762100D-01  0.106739D+01  0.249530D+00 -0.737054D+00  0.352979D+00
      3  -0.257265D+01  0.249530D+00  0.154509D+01  0.518090D+00 -0.418417D-01
               246           247           248           249           250 
      1   0.518090D+00 -0.158708D+01 -0.191535D+01  0.258711D+00  0.110108D+01
      2  -0.418417D-01 -0.191535D+01 -0.951274D+01  0.165400D+01  0.416914D+00
      3  -0.664560D-01  0.258711D+00  0.165400D+01 -0.127065D+01 -0.646329D+00
               251           252 
      1   0.416914D+00 -0.646329D+00
      2   0.201614D+01 -0.146727D+01
      3  -0.146727D+01  0.522427D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.484331D+01 -0.360702D+01 -0.364887D+01 -0.382861D+01  0.661587D+01
      2  -0.332023D+01 -0.228945D+01 -0.608517D+01 -0.259910D+01  0.315572D+01
      3  -0.751440D+01 -0.102811D+02  0.627064D+01 -0.286911D+01  0.711093D+01
                 6             7             8             9            10 
      1   0.415318D+00 -0.462116D+01  0.594410D+01 -0.325797D+00  0.447560D+01
      2   0.394169D+01 -0.146376D+02  0.494311D+01  0.304455D-01 -0.353475D+01
      3  -0.187746D+00  0.753144D+01 -0.570837D+00  0.762634D+00  0.805192D+01
                11            12            13            14            15 
      1   0.235801D+01 -0.144860D+01  0.193779D+01 -0.392444D+01 -0.102268D+01
      2  -0.132436D+01  0.488703D+01 -0.166382D+01 -0.274997D+01 -0.181630D+01
      3  -0.451073D+01 -0.254074D+01  0.327064D+01 -0.110808D+02  0.167277D+01
                16            17            18            19            20 
      1  -0.610561D+00  0.648312D+01 -0.473909D+01  0.208680D+01  0.103873D+02
      2  -0.131190D+00 -0.237109D+01  0.144106D+02 -0.201412D+01  0.135769D+01
      3  -0.279754D+01  0.292449D+01  0.211553D+01  0.333620D+01  0.415148D+01
                21            22            23            24            25 
      1   0.286670D+01  0.100956D+02 -0.342292D+01  0.543356D+01  0.428424D+01
      2   0.242504D+01  0.148632D+01 -0.349185D-01 -0.559158D+00 -0.242427D+01
      3  -0.254834D+01  0.113001D+02  0.107870D+00 -0.823221D+01 -0.313705D+01
                26            27            28            29            30 
      1   0.141048D+02  0.345330D+01  0.738837D+00 -0.770866D+01 -0.501565D+01
      2  -0.147274D+01  0.141677D+01 -0.516058D+00  0.374592D+01  0.213665D+01
      3  -0.907416D+01 -0.271952D+01  0.148518D+01 -0.634239D+01 -0.169754D+01
                31            32            33            34            35 
      1  -0.721220D+01 -0.259094D+01 -0.799216D+01 -0.351001D+01 -0.725550D+00
      2   0.341744D+01  0.201699D+00  0.835005D+01 -0.515875D+01  0.100927D+02
      3   0.111576D+01 -0.413934D+01  0.626808D+01 -0.407632D+01  0.768206D+01
                36            37            38            39            40 
      1  -0.278938D+01  0.470409D+01  0.636625D+00 -0.119401D+00  0.213039D+01
      2  -0.157923D+01  0.471611D+01 -0.417664D+01  0.420085D+01 -0.627815D+01
      3  -0.383491D+01 -0.114979D+02 -0.101967D+02  0.118728D+01 -0.254641D+01
                41            42            43            44            45 
      1   0.440568D+00 -0.431550D+01 -0.955511D+00  0.531847D+01 -0.361123D+01
      2   0.658531D+01 -0.635137D+01 -0.702766D+01 -0.644109D+01 -0.591292D+01
      3   0.398911D+01 -0.536874D+01  0.141390D+01 -0.807801D+01  0.647318D+01
                46            47            48            49            50 
      1  -0.599610D+01 -0.757578D+00 -0.984636D+00  0.216589D+00  0.715266D-01
      2  -0.149484D+01 -0.102081D+01  0.132781D+01  0.250743D+00  0.427077D+00
      3   0.446826D+01  0.178499D+01  0.348483D+01  0.111669D+02  0.352639D+01
                51            52            53            54            55 
      1  -0.802781D+01 -0.284628D+01 -0.139268D+01  0.917537D+01  0.287609D+01
      2   0.237593D+01 -0.582625D+01 -0.117399D+00 -0.245068D+01  0.504085D+01
      3   0.402836D+00  0.633057D+01  0.223660D+00 -0.689912D+00 -0.656916D+00
                56            57            58            59            60 
      1   0.555987D+01  0.977932D+01  0.250666D+01  0.273758D+01  0.475404D+01
      2  -0.242627D+01  0.133940D+02 -0.257406D+01 -0.687975D+01 -0.104162D+02
      3  -0.200864D+01 -0.244077D+01  0.312228D+01  0.104905D+01  0.142948D+01
                61            62            63            64            65 
      1   0.848028D+01  0.834880D+01 -0.734323D+01 -0.191093D+01  0.418061D+00
      2   0.489801D+01 -0.734905D+01  0.647562D+00 -0.197999D+01  0.161989D+01
      3  -0.142982D+01  0.110152D+01  0.202320D+00 -0.125643D+01 -0.152727D+01
                66            67            68            69            70 
      1   0.298544D+01  0.131140D+01 -0.125022D+01 -0.288012D+01  0.387770D+01
      2   0.466116D+01  0.125627D+01 -0.363341D+01 -0.376129D+01  0.306726D+01
      3   0.364634D+00  0.149373D+01  0.266597D+01  0.169444D+01  0.165175D+01
                71            72            73            74            75 
      1  -0.374456D-01 -0.604218D+01 -0.601114D+01 -0.529003D+00  0.377114D+01
      2  -0.417815D+01 -0.834458D+01  0.101454D+02 -0.626386D-01 -0.517259D+01
      3   0.413161D+01  0.174714D+00 -0.166588D+02 -0.157877D+01  0.623466D+01
                76            77            78            79            80 
      1  -0.848206D-01 -0.268922D+01 -0.271254D+01  0.550116D+01  0.194708D+01
      2  -0.180315D+00  0.671741D+01  0.117109D+01 -0.128107D+02 -0.144565D+01
      3   0.101502D+02  0.223265D+02 -0.789876D+01  0.604488D+01 -0.734095D+01
                81            82            83            84            85 
      1   0.738332D+01  0.412275D+00 -0.211121D+00  0.547830D+00 -0.120229D+00
      2  -0.168945D+02 -0.337742D+01  0.249937D+00 -0.149609D+01  0.686920D+00
      3  -0.439414D+01 -0.215923D+01 -0.240406D+00 -0.563152D+00  0.230071D+01
                86            87            88            89            90 
      1   0.566177D+00 -0.537833D+00  0.947349D+00  0.277963D+01  0.467129D+01
      2  -0.178503D+01  0.160203D+01 -0.626584D+01  0.146509D+01 -0.145057D+02
      3   0.463197D+00  0.212614D+01 -0.129734D+01  0.189902D+01 -0.156695D+01
                91            92            93            94            95 
      1  -0.291474D+00 -0.144372D+01 -0.180890D+01 -0.631469D+00 -0.274283D+01
      2   0.438375D+01  0.103966D+01  0.211962D+01  0.170598D+01  0.771200D+00
      3   0.572780D+01 -0.187330D+01 -0.104803D+01  0.289848D+01 -0.175590D+01
                96            97            98            99           100 
      1  -0.141456D+01 -0.121705D+01  0.150877D+01  0.256427D+01 -0.962752D+01
      2   0.741275D+00 -0.150280D+01 -0.319913D+00 -0.142439D+01 -0.173734D+01
      3  -0.285526D+00 -0.183244D+01  0.611257D-01  0.131366D+01  0.826225D+01
               101           102           103           104           105 
      1  -0.218445D+01  0.200045D+01 -0.519764D+01  0.260521D+01 -0.131620D+02
      2   0.117926D+02  0.120230D+02  0.134695D+02 -0.393168D+01  0.283980D+01
      3  -0.740384D+00 -0.275759D+01  0.474409D+01 -0.243443D+01  0.781030D+01
               106           107           108           109           110 
      1   0.355928D+01 -0.590425D+01  0.609867D+01 -0.733958D+00  0.168144D+01
      2   0.568251D+01  0.171917D+01  0.128682D+01 -0.665285D+01  0.239048D+01
      3  -0.356259D+01  0.630442D+01 -0.466733D+01  0.173949D+02  0.756443D+01
               111           112           113           114           115 
      1  -0.346172D+00  0.252174D+01 -0.433673D+01  0.265804D+01 -0.238857D+01
      2   0.173145D+01  0.227937D+01 -0.832689D+01  0.103297D+02 -0.661579D+01
      3  -0.167731D+01  0.168351D+02 -0.841656D+01  0.603605D+01 -0.143784D+01
               116           117           118           119           120 
      1   0.768998D+01  0.542301D+01  0.120950D+01 -0.644436D-01 -0.818933D-01
      2   0.120579D+02  0.152279D+02 -0.432514D+00 -0.215361D+00  0.982567D+00
      3   0.663691D+01 -0.100265D+02 -0.567207D-01  0.524771D+00 -0.585765D+00
               121           122           123           124           125 
      1   0.309063D+00  0.259890D+01 -0.523796D+01  0.138256D+00 -0.787745D+00
      2  -0.864740D-01 -0.624082D+00  0.265174D+00 -0.143522D+01  0.236391D+00
      3   0.683156D+01 -0.128508D+01 -0.853958D-01 -0.140824D+01 -0.216447D+00
               126           127           128           129           130 
      1   0.332231D-02  0.205240D+01 -0.390575D+01 -0.175383D+01 -0.279482D+01
      2   0.167903D-01  0.728460D+01 -0.270805D+01 -0.331836D+01 -0.365865D+01
      3  -0.533607D-01 -0.159691D+01 -0.514621D+00  0.833825D+00  0.225878D+01
               131           132           133           134           135 
      1   0.442723D+01  0.118730D+01 -0.177628D+01  0.403607D+01  0.271329D+01
      2   0.270878D+01  0.241943D+01 -0.617938D+01  0.232518D+01  0.290896D+01
      3  -0.114937D+00 -0.130600D+00  0.128807D+01  0.462449D+00 -0.655913D+00
               136           137           138           139           140 
      1  -0.193287D+01  0.403691D+01 -0.247660D+01  0.210710D+01 -0.258656D+01
      2  -0.144912D+02  0.120744D+01 -0.484607D+01  0.314854D+01 -0.164880D+01
      3   0.133662D+01 -0.256609D+01  0.117560D+01  0.511703D+00  0.622933D+00
               141           142           143           144           145 
      1   0.346864D+00 -0.153666D+01  0.275793D+01 -0.110643D+01  0.430556D+01
      2   0.187654D+01 -0.729777D+01  0.762626D+00 -0.420431D+01  0.136474D+02
      3  -0.398078D+00  0.342736D+00 -0.163682D+01  0.926542D+00 -0.526919D+01
               146           147           148           149           150 
      1  -0.436122D+01 -0.447957D+00 -0.335030D+01  0.457490D+01  0.126193D+01
      2  -0.605573D+01 -0.473130D+01 -0.692923D+01  0.501309D+01  0.274551D+01
      3   0.167814D+01  0.157811D+01  0.424833D+01 -0.276739D+01 -0.221786D+01
               151           152           153           154           155 
      1  -0.132468D+01  0.346277D+01  0.923343D+00  0.595486D+01  0.530292D+01
      2  -0.727357D+01  0.337034D+01  0.543479D+01 -0.892268D+01 -0.417031D+01
      3   0.213880D+01 -0.132726D+01 -0.188075D+01 -0.230395D+01 -0.528233D+01
               156           157           158           159           160 
      1   0.597986D+00  0.490392D+01  0.539266D+01  0.139311D+01  0.630648D+00
      2   0.145433D+01 -0.590842D+01 -0.211707D+01  0.738189D+00 -0.146242D+01
      3  -0.135756D+01 -0.156491D+01 -0.480506D+01 -0.234499D+01 -0.137030D+00
               161           162           163           164           165 
      1   0.220585D+01  0.100791D+01 -0.940815D+00  0.185537D+01 -0.953641D+00
      2  -0.281349D+00 -0.122432D+01  0.489616D+00  0.324463D-01 -0.366499D+00
      3  -0.113110D+01 -0.481072D+00  0.712871D+00 -0.187088D+01  0.989685D+00
               166           167           168           169           170 
      1   0.281084D+01 -0.107044D+02  0.492437D+01 -0.193293D+01  0.726840D+01
      2   0.143249D+01  0.313654D+01 -0.578291D+01 -0.244896D+01 -0.290615D+01
      3  -0.576276D-01  0.717024D+01 -0.529307D+01  0.552469D+00 -0.413237D+01
               171           172           173           174           175 
      1  -0.592713D+01 -0.172230D+01  0.119301D+00 -0.623600D-01 -0.693012D-02
      2   0.552464D+01 -0.349666D+01  0.856327D+00  0.410919D+00  0.470571D+00
      3   0.465176D+01  0.760822D-01 -0.990413D+00  0.802289D+00 -0.697300D+00
               176           177           178           179           180 
      1  -0.296380D-01 -0.291326D+01  0.294050D+00  0.333463D+00 -0.820056D+01
      2  -0.311240D+01 -0.565017D+01 -0.148575D+01 -0.580949D+01 -0.203640D+02
      3   0.358385D+01  0.315962D+01  0.133321D+01  0.401035D+01  0.566244D+01
               181           182           183           184           185 
      1   0.133971D+01 -0.938123D+00  0.764532D+00 -0.176279D+01  0.373740D+01
      2   0.286477D+01 -0.190631D+01  0.200817D+01 -0.236460D+01  0.746980D+01
      3   0.149920D+01 -0.348258D+01  0.603581D+00 -0.379260D+01  0.163768D+02
               186           187           188           189           190 
      1  -0.567060D+01  0.122481D+01 -0.208964D+01  0.383978D+01 -0.380763D+00
      2  -0.694888D+01  0.172615D+01 -0.623852D+01  0.557405D+01  0.319344D+01
      3  -0.569498D+01  0.696367D+00 -0.776565D+01  0.525998D+01 -0.154718D+02
               191           192           193           194           195 
      1  -0.394642D+00  0.250880D+00 -0.615769D+00 -0.145258D+00 -0.979271D+00
      2   0.995911D+00  0.530912D+01  0.920473D+00  0.181101D+01  0.268176D+01
      3  -0.957272D+01 -0.486337D+00 -0.911792D+01 -0.829066D+01 -0.114859D+01
               196           197           198           199           200 
      1   0.103228D+01  0.505913D+00 -0.270868D+00  0.371517D+01  0.318933D+00
      2   0.256861D+01  0.212282D+00  0.957861D-01  0.502814D+01 -0.905931D+00
      3  -0.402101D+00 -0.174788D+01 -0.134787D+01 -0.489194D+01 -0.310322D+01
               201           202           203           204           205 
      1   0.298090D+01 -0.140669D+00  0.537640D+00 -0.166186D+01  0.302079D+01
      2   0.630442D+01 -0.289953D+00  0.149531D+01 -0.104310D+01  0.392901D+01
      3  -0.263260D+01  0.221607D+00 -0.173463D+01 -0.926648D+00 -0.472433D+01
               206           207           208           209           210 
      1  -0.395371D-01  0.473256D+01  0.120226D+01 -0.248804D+01  0.137545D+01
      2  -0.187830D+01  0.752101D+01 -0.691968D+00  0.333480D+00  0.102684D+01
      3  -0.349915D+01 -0.141802D+01 -0.331797D+01  0.114214D+01 -0.148058D+01
               211           212           213           214           215 
      1  -0.155245D+01  0.483170D+01 -0.700455D+01  0.353608D+00 -0.517951D+01
      2   0.991082D+00  0.168787D+00 -0.820049D+00 -0.185294D+01 -0.204698D+00
      3   0.421449D+01 -0.810728D+00  0.894655D+00 -0.386162D+01  0.130540D+01
               216           217           218           219           220 
      1   0.765685D+01 -0.367335D+01 -0.298547D+01 -0.446438D+01 -0.240715D+01
      2   0.713066D+00  0.135744D-01 -0.293880D+00  0.779895D+00 -0.885626D+00
      3   0.611436D-01  0.564631D+01  0.668764D+00  0.361911D+01  0.334961D+01
               221           222           223           224           225 
      1  -0.488094D+01 -0.641721D+01 -0.417674D+01 -0.555968D+01 -0.116036D+02
      2  -0.609108D+00  0.278555D+00 -0.209454D+01 -0.274192D+00 -0.927146D+00
      3   0.288142D+01  0.269181D+01  0.614333D+01  0.322302D+01  0.365542D+01
               226           227           228           229           230 
      1  -0.160707D+01  0.143100D+00 -0.209714D+01 -0.206748D+00 -0.973784D+00
      2   0.317222D+01  0.734729D+00  0.492331D+01  0.557335D+00  0.205296D+01
      3   0.227864D+01 -0.114328D+01  0.798077D+00 -0.689529D+00 -0.131117D+01
               231           232           233           234           235 
      1  -0.830081D+00 -0.281998D+01  0.179002D+01 -0.100905D+02  0.399496D+01
      2  -0.246859D+00  0.383453D+01  0.148736D+01  0.217978D+02 -0.530655D+01
      3  -0.174302D+01  0.115892D+01 -0.371223D+01  0.144584D+01  0.147866D+02
               236           237           238           239           240 
      1  -0.141956D+01 -0.234344D+01 -0.115737D+01  0.149022D+01  0.533611D+00
      2   0.897581D+00  0.754947D+01  0.109840D+01 -0.203413D+01 -0.286940D+01
      3  -0.696771D+01 -0.511352D+01 -0.598238D+01  0.345744D+01  0.339531D+01
               241           242           243           244           245 
      1  -0.300048D+01  0.208240D+01  0.169255D+01  0.603487D+00  0.180958D+00
      2   0.493673D+01 -0.989948D+00 -0.419916D+01 -0.168296D+01  0.226162D+00
      3  -0.548672D+01  0.459370D+01  0.411487D+01 -0.233229D+01  0.103010D+01
               246           247           248           249           250 
      1   0.132848D+00 -0.108866D+00 -0.274168D+00 -0.439188D+01 -0.705839D+00
      2   0.624177D+00  0.246932D+00 -0.422745D+01  0.390903D+01  0.356079D+00
      3  -0.938297D+00  0.216276D+00 -0.264516D+02  0.470082D+01 -0.103546D+01
               251           252 
      1  -0.602744D+00  0.636927D+00
      2   0.367228D+01 -0.902057D+00
      3   0.567310D+01 -0.308373D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.317810D+01  0.833831D+01 -0.110058D+02  0.733902D+01 -0.179748D+01
      2   0.140816D+01 -0.597443D+01  0.639337D+01 -0.525177D+01  0.503181D+01
      3   0.176994D+01 -0.236388D+01  0.461238D+01 -0.208725D+01 -0.323433D+01
      4   0.130145D+02 -0.520098D+01  0.196694D+00 -0.740588D+01 -0.104918D+02
      5  -0.299922D+01 -0.494267D+01 -0.139759D+02 -0.663651D+01  0.498467D+01
      6   0.617908D+00  0.655989D+01  0.862764D+01  0.718428D+01 -0.521257D+01
                 6             7             8             9            10 
      1  -0.251704D+00 -0.139073D+02 -0.118955D+01 -0.122707D+02 -0.239836D+01
      2  -0.912894D+00  0.949558D+01  0.124247D+01  0.620587D+01 -0.128758D+01
      3   0.116460D+01  0.441176D+01 -0.529179D-01  0.606482D+01  0.368594D+01
      4   0.804969D+01 -0.882830D+00  0.113711D+02  0.183186D+02 -0.175475D+02
      5   0.782345D+01 -0.202819D+02  0.122625D+02  0.369519D+01 -0.391637D+01
      6  -0.607105D+01  0.130732D+02 -0.753158D+01 -0.675626D+01 -0.910116D+00
                11            12            13            14            15 
      1  -0.112466D+02 -0.279533D+01 -0.150623D+02 -0.677494D+01 -0.163061D+01
      2   0.217148D+01  0.182291D+01  0.563457D+01  0.609157D+01  0.959175D-01
      3   0.907511D+01  0.972413D+00  0.942773D+01  0.683369D+00  0.153469D+01
      4  -0.113017D+02 -0.266263D+01 -0.112374D+02  0.124095D+02 -0.862174D+00
      5   0.199398D+01  0.545833D+01  0.188354D+01 -0.136035D+01 -0.280394D+01
      6  -0.164171D+01  0.124439D+01 -0.838603D+00 -0.120752D+01 -0.158569D+01
                16            17            18            19            20 
      1  -0.319701D+01 -0.387778D+01  0.194000D+02 -0.566323D+01 -0.490443D+01
      2   0.181056D+01 -0.211001D+01  0.300627D+01  0.609387D+01  0.768380D+00
      3   0.138645D+01  0.598779D+01 -0.224063D+02 -0.430642D+00  0.413605D+01
      4  -0.469904D+01 -0.477441D+01 -0.136770D+01  0.519071D+00 -0.201353D+01
      5   0.106031D+02 -0.268757D+01  0.136603D+02 -0.232799D+01  0.550098D+00
      6   0.162636D+01  0.239675D+00  0.117278D+02 -0.330899D+01 -0.147128D+02
                21            22            23            24            25 
      1   0.113929D+02 -0.634089D+01  0.164805D+02 -0.551263D+01  0.148256D+02
      2  -0.163702D+02  0.322469D+01 -0.199869D+02  0.738009D+01 -0.185013D+02
      3   0.497733D+01  0.311620D+01  0.350638D+01 -0.186746D+01  0.367570D+01
      4  -0.214586D+01  0.120581D+01  0.405021D+01 -0.126504D+02 -0.354461D+01
      5  -0.135284D+01  0.859383D+00 -0.602592D+01  0.173218D+00  0.135590D+00
      6   0.493880D+00 -0.132409D+02  0.118363D+02 -0.164269D+02 -0.274952D+01
                26            27            28            29            30 
      1  -0.793367D+01  0.153374D+02 -0.378985D+01 -0.651109D-01 -0.301722D+01
      2   0.103039D+02 -0.204093D+02  0.257710D+01  0.886322D+01  0.861790D+01
      3  -0.237027D+01  0.507191D+01  0.121275D+01 -0.879811D+01 -0.560068D+01
      4  -0.152139D+02 -0.321912D+01 -0.117995D+02 -0.125154D+02  0.122756D+02
      5  -0.500428D+00 -0.382838D+01  0.946688D+01  0.105977D+02 -0.100218D+02
      6  -0.248270D+02  0.982097D+00  0.779659D+01  0.111438D+02 -0.121255D+02
                31            32            33            34            35 
      1   0.799422D+00 -0.577616D+01  0.731472D+01 -0.278421D+01  0.124807D+02
      2   0.550592D+01  0.105330D+02 -0.534502D+01  0.818662D+01 -0.637711D+01
      3  -0.630534D+01 -0.475687D+01 -0.196970D+01 -0.540241D+01 -0.610359D+01
      4  -0.116734D+02 -0.467496D+01  0.563285D+01  0.156399D+02  0.686828D+01
      5   0.794293D+01  0.163724D+01 -0.296926D+01 -0.844831D+01 -0.263346D+01
      6   0.763559D+01  0.133268D+01 -0.452030D+01 -0.895266D+01  0.340498D+00
                36            37            38            39            40 
      1  -0.565466D+01  0.372660D+01  0.136670D+02  0.122321D+02  0.156197D+02
      2   0.836226D+01 -0.930640D+01 -0.893404D+01 -0.633183D+01 -0.825019D+01
      3  -0.270760D+01  0.557980D+01 -0.473293D+01 -0.590031D+01 -0.736952D+01
      4   0.109922D+00  0.117350D+02 -0.159687D+01 -0.914174D+01  0.107344D+00
      5  -0.852598D+00  0.131258D+02 -0.332153D+01  0.567951D+01 -0.243470D+01
      6  -0.853027D+00 -0.156549D+01  0.994023D-01  0.263750D+01  0.216602D+01
                41            42            43            44            45 
      1  -0.578315D+00 -0.264867D+01  0.140932D+02 -0.522620D+01  0.616320D+01
      2  -0.105568D+01  0.581403D+01 -0.714619D+01  0.404853D+01 -0.929248D+00
      3   0.163400D+01 -0.316535D+01 -0.694700D+01  0.117767D+01 -0.523395D+01
      4  -0.456324D+01  0.838392D+01 -0.116919D+02  0.746704D+01 -0.994001D+01
      5   0.108768D+02 -0.693580D+01  0.317272D+01 -0.831112D+01 -0.547510D+01
      6   0.137162D+00  0.406585D+01 -0.114145D+01 -0.635786D+00 -0.107469D+01
                46            47            48            49            50 
      1  -0.910312D+01 -0.807273D-01 -0.197331D+01  0.135644D+01  0.212767D+02
      2   0.590144D+01  0.391144D+01  0.387096D+01  0.990422D+00 -0.332458D+02
      3   0.320169D+01 -0.383071D+01 -0.189765D+01 -0.234686D+01  0.119691D+02
      4   0.362369D+01  0.412434D+01  0.346683D+01  0.358352D+01  0.121348D+01
      5  -0.447102D+01 -0.340743D+01 -0.298424D+01 -0.437713D+01 -0.637228D+01
      6   0.842125D+00  0.404440D+00 -0.369907D+01 -0.266964D+01 -0.376922D+01
                51            52            53            54            55 
      1  -0.570448D+01 -0.945398D+00 -0.210024D+01  0.161741D+00  0.501047D+01
      2  -0.799837D+00  0.347462D+01 -0.962866D+00  0.839548D+01  0.780001D+01
      3   0.650432D+01 -0.252922D+01  0.306311D+01 -0.855722D+01 -0.128105D+02
      4  -0.320059D+01  0.634953D+01  0.123027D+01  0.119645D+01  0.189357D+01
      5   0.982400D+00 -0.224020D+01  0.121535D+01 -0.135809D+01 -0.618469D+01
      6   0.131758D+00 -0.176830D+00  0.395194D+01 -0.191960D+01  0.683939D+00
                56            57            58            59            60 
      1  -0.705762D+01 -0.106218D+01 -0.605166D+01 -0.525220D+01  0.647790D+01
      2  -0.816884D+01 -0.140329D+00 -0.817002D+01 -0.139777D+01  0.511073D+01
      3   0.152265D+02  0.120251D+01  0.142217D+02  0.664997D+01 -0.115886D+02
      4  -0.159928D+01 -0.235934D+01 -0.872231D+00  0.165513D+01  0.312887D+01
      5   0.126442D+01 -0.132568D+02  0.279194D+01  0.681118D+01  0.993390D+01
      6   0.450518D+01  0.150741D+02  0.730307D+01  0.121865D+01  0.196848D+01
                61            62            63            64            65 
      1  -0.249686D+01  0.166446D+01 -0.280632D+01  0.104011D+02 -0.464586D+01
      2  -0.167224D+01  0.704030D+01 -0.155501D+01 -0.533592D+01  0.728576D+00
      3   0.416910D+01 -0.870476D+01  0.436132D+01 -0.506519D+01  0.391728D+01
      4  -0.614991D+01  0.380953D+00  0.377413D+01 -0.151060D+02  0.115932D+02
      5  -0.917665D+01  0.733709D+01  0.144821D+01 -0.124268D+02  0.664960D+01
      6   0.108055D+02 -0.121006D+01 -0.606432D+01  0.784647D+01 -0.621710D+01
                66            67            68            69            70 
      1  -0.424210D+01 -0.244693D+01 -0.337669D+01 -0.198419D+01 -0.539583D+01
      2   0.299002D+01 -0.127621D+01  0.771033D+01  0.307133D+01  0.471531D+01
      3   0.125208D+01  0.372314D+01 -0.433364D+01 -0.108714D+01  0.680528D+00
      4   0.878658D+01  0.132388D+02 -0.133518D+02 -0.109042D+02  0.129313D+02
      5   0.126554D+02  0.643871D+01 -0.915642D+01 -0.785883D+01  0.174499D+02
      6  -0.723065D+01 -0.717843D+01  0.109457D+02  0.104097D+02 -0.117204D+02
                71            72            73            74            75 
      1  -0.207475D+01 -0.413056D-01 -0.206433D+02  0.182016D+02  0.191527D+02
      2   0.240294D+01 -0.604756D+01  0.215880D+02 -0.617586D+01 -0.118711D+02
      3  -0.328191D+00  0.608887D+01 -0.944757D+00 -0.120257D+02 -0.728159D+01
      4  -0.145032D+02 -0.155073D+02  0.218975D+02  0.142252D+02 -0.280376D-01
      5  -0.112838D+02 -0.202729D+02  0.219770D+02 -0.491460D+01 -0.159331D+02
      6   0.132778D+02  0.176845D+02  0.419403D+01 -0.534226D+00 -0.443558D+01
                76            77            78            79            80 
      1   0.308103D+02  0.214553D+02 -0.963425D+01  0.226816D+02 -0.629683D+01
      2  -0.177730D+02 -0.297326D+02  0.112508D+02 -0.113935D+02  0.103883D+02
      3  -0.130372D+02  0.827730D+01 -0.161659D+01 -0.112880D+02 -0.409143D+01
      4   0.101964D+02 -0.257277D+02  0.905473D+01  0.308251D+01  0.101857D+02
      5  -0.639023D+01  0.105573D+02  0.356292D+01 -0.217212D+02 -0.119396D-01
      6   0.149626D+00  0.123689D+02 -0.893547D+00 -0.655714D+01 -0.177744D+01
                81            82            83            84            85 
      1  -0.164824D+02 -0.130767D+01  0.235851D+01 -0.270476D+01  0.216215D+01
      2   0.116645D+02 -0.267466D+01 -0.632948D+00  0.377826D+00 -0.709019D+00
      3   0.481791D+01  0.398232D+01 -0.172556D+01  0.232694D+01 -0.145313D+01
      4  -0.342925D+01  0.182304D+01  0.288508D+01 -0.929497D+00  0.384579D+01
      5  -0.259338D+02 -0.428610D+00 -0.658676D+00  0.528681D+01 -0.753146D+00
      6  -0.128564D+02 -0.144802D+01  0.475325D+00 -0.680447D+00  0.367192D+00
                86            87            88            89            90 
      1  -0.365814D+01  0.320543D+01 -0.434595D+01  0.326855D+01 -0.204436D+02
      2   0.775214D+00 -0.613794D+00  0.767215D+00  0.135132D+01 -0.134190D+02
      3   0.288293D+01 -0.259164D+01  0.357873D+01 -0.461987D+01  0.338626D+02
      4   0.452807D+00 -0.268386D+01 -0.248243D+01 -0.374390D+01  0.196528D+01
      5  -0.236358D+01  0.249558D+01  0.418147D+01  0.336664D+01 -0.174372D+02
      6  -0.350637D+01  0.770258D+01  0.610845D-01  0.627544D+01 -0.120684D+02
                91            92            93            94            95 
      1   0.144405D+02  0.343843D+01 -0.213496D+01  0.805613D+00 -0.366454D+01
      2  -0.751656D+01  0.620574D+00  0.261479D+01  0.257726D+01  0.935837D+01
      3  -0.692398D+01 -0.405901D+01 -0.479822D+00 -0.338288D+01 -0.569383D+01
      4   0.223929D+02  0.174622D+02 -0.112527D+02  0.151535D+02  0.162806D+02
      5  -0.191680D+02 -0.113887D+02  0.147767D+02 -0.862705D+01 -0.946118D+01
      6  -0.122514D+02 -0.106585D+02  0.974523D+01 -0.943332D+01 -0.131687D+02
                96            97            98            99           100 
      1   0.175910D+01 -0.747327D+00  0.157894D+01 -0.231716D+01 -0.220252D+01
      2  -0.158402D+01  0.240907D+01  0.198258D+00 -0.501972D+01  0.449542D+01
      3  -0.175085D+00 -0.166174D+01 -0.177719D+01  0.733688D+01 -0.229289D+01
      4  -0.858224D+01 -0.922132D+01 -0.791987D+01  0.932344D+01 -0.182745D+02
      5   0.659043D+01  0.132455D+02  0.836068D+01 -0.118552D+02 -0.145895D+02
      6   0.972290D+01  0.931201D+01  0.982252D+01 -0.113023D+02 -0.164411D+02
               101           102           103           104           105 
      1  -0.191209D+02 -0.126319D+02 -0.221568D+02  0.262971D+01 -0.771735D+01
      2   0.458818D+01  0.305526D+01  0.507785D+01  0.831165D+01 -0.679323D+01
      3   0.145327D+02  0.957663D+01  0.170789D+02 -0.109414D+02  0.145106D+02
      4  -0.829602D+01 -0.177903D+01 -0.104942D+02  0.250588D+01 -0.133761D+02
      5  -0.113966D+02 -0.799173D+01 -0.114368D+02 -0.150133D+02  0.100907D+02
      6  -0.615441D+01  0.289807D+01 -0.903244D+01  0.656318D+01 -0.185367D+02
               106           107           108           109           110 
      1  -0.112608D+02 -0.341210D+01 -0.268211D+01 -0.211775D+02 -0.284120D+02
      2   0.282317D+01 -0.651270D+01 -0.500122D+01  0.156085D+02  0.171332D+02
      3   0.843759D+01  0.992480D+01  0.768332D+01  0.556896D+01  0.112788D+02
      4   0.237170D+01 -0.946399D+01  0.101763D+02 -0.265829D+02 -0.224188D+01
      5  -0.685592D+01  0.107775D+02  0.661292D+01 -0.100301D+02  0.690801D+01
      6   0.665745D+01 -0.129769D+02  0.127184D+02  0.563092D+01 -0.278874D+01
               111           112           113           114           115 
      1  -0.934526D+01 -0.373097D+02 -0.355832D+01  0.224305D+01 -0.114973D+02
      2   0.221291D+01  0.240614D+02 -0.662160D+01  0.634610D+01  0.131066D+01
      3   0.713235D+01  0.132484D+02  0.101799D+02 -0.858915D+01  0.101866D+02
      4   0.750586D+01 -0.952951D+01  0.159486D+02 -0.144979D+02  0.994036D+01
      5   0.118427D+01  0.874760D+01 -0.132599D+02  0.146227D+02 -0.212392D+01
      6   0.317652D+00 -0.407189D+01  0.835231D+01 -0.802924D+01  0.327050D+01
               116           117           118           119           120 
      1   0.233472D+01  0.709536D+01 -0.247031D+00  0.144331D+01 -0.318120D+00
      2   0.786078D+01 -0.616168D+01  0.446163D+01 -0.196973D+01 -0.518290D+00
      3  -0.101955D+02 -0.933676D+00 -0.421460D+01  0.526418D+00  0.836409D+00
      4  -0.157277D+02  0.156049D+02  0.710951D-01  0.918486D+01 -0.102930D+01
      5   0.165344D+02  0.204047D+02  0.424507D+00  0.323781D+00  0.247962D+01
      6  -0.805956D+01 -0.899648D+01  0.186800D+00 -0.255322D+00 -0.149438D-01
               121           122           123           124           125 
      1   0.116919D+00 -0.286203D+02 -0.463048D+00 -0.608402D+00  0.162626D-01
      2   0.134275D+01  0.524866D+02 -0.444256D+00 -0.656594D+00 -0.136873D+01
      3  -0.145967D+01 -0.238663D+02  0.907304D+00  0.126500D+01  0.135246D+01
      4   0.791529D+01  0.118172D+01  0.268612D+00 -0.162576D+01 -0.405929D+00
      5   0.256743D+00  0.119742D+01  0.191161D+00  0.203988D+01  0.734576D-01
      6   0.388938D+00  0.524683D+01  0.667091D+01  0.581799D+00  0.804597D+01
               126           127           128           129           130 
      1  -0.434408D+01 -0.184226D+00  0.172230D+01  0.603425D+01  0.216120D+01
      2   0.393780D+01 -0.717444D+01  0.281282D+01  0.742054D+01  0.159366D+01
      3   0.406274D+00  0.735867D+01 -0.453511D+01 -0.134548D+02 -0.375486D+01
      4   0.236004D+00 -0.474894D+01  0.364921D+01  0.349174D+01  0.413544D+01
      5   0.886161D+00 -0.921019D+01  0.414812D+01  0.119515D+02  0.392106D+01
      6   0.569272D+00  0.518078D+01 -0.590334D+01 -0.709823D+01 -0.587471D+01
               131           132           133           134           135 
      1  -0.603374D+01 -0.880219D+01  0.405507D+01 -0.669948D+01 -0.173596D+02
      2   0.555975D-01 -0.352543D+01  0.550044D+01 -0.409979D+01 -0.155134D+02
      3   0.597814D+01  0.123276D+02 -0.955551D+01  0.107993D+02  0.328729D+02
      4  -0.365880D+01 -0.327101D+01  0.306415D+01 -0.273674D+01 -0.432499D+01
      5  -0.503957D+01 -0.505402D+01  0.102091D+02 -0.495605D+01 -0.125394D+02
      6   0.112490D+02  0.127998D+02 -0.589997D+01  0.988423D+01  0.152111D+02
               136           137           138           139           140 
      1   0.169888D+01  0.147459D+01 -0.521986D+01  0.120585D+01 -0.175681D+01
      2  -0.107837D+02  0.157351D+01 -0.104867D+02  0.232898D+01  0.341434D+00
      3   0.908484D+01 -0.304810D+01  0.157066D+02 -0.353482D+01  0.141538D+01
      4   0.462729D+00  0.367803D+01  0.240478D-01  0.332225D+01 -0.920888D+00
      5   0.191150D+02 -0.190724D+01  0.166932D+02 -0.364778D+01  0.279337D+01
      6  -0.230930D+01  0.412100D+01 -0.353775D+01  0.319900D+01 -0.373301D+01
               141           142           143           144           145 
      1   0.192237D+01 -0.245123D+01  0.905335D+00 -0.896502D+01 -0.790103D+01
      2   0.157243D+01 -0.790650D+01 -0.684448D-01 -0.120925D+02  0.164881D+01
      3  -0.349479D+01  0.103577D+02 -0.836891D+00  0.210576D+02  0.625222D+01
      4   0.128664D+01  0.597222D+00  0.151284D+01 -0.636921D+00  0.158936D+01
      5  -0.406063D+01  0.133319D+02 -0.212756D+01  0.142069D+02 -0.896223D+01
      6   0.571041D+01 -0.250250D+01  0.442902D+01 -0.187233D+01  0.672429D+01
               146           147           148           149           150 
      1   0.806959D+01  0.101907D+02  0.795487D+01 -0.859101D+01 -0.614291D+01
      2  -0.253810D+01  0.314327D+01 -0.329404D+01  0.320041D+01 -0.529484D+00
      3  -0.553149D+01 -0.133340D+02 -0.466083D+01  0.539060D+01  0.667239D+01
      4   0.745897D+00 -0.752308D+00  0.215420D+01  0.103083D+01  0.280522D+01
      5   0.426883D+01  0.209333D+01  0.565715D+01 -0.559856D+00 -0.858261D+00
      6  -0.553056D+01 -0.578996D+01 -0.382286D+01  0.721492D+01  0.903917D+01
               151           152           153           154           155 
      1   0.705743D+01 -0.583272D+01 -0.111891D+02  0.278009D+02  0.982160D+01
      2   0.136036D+01  0.501381D+00 -0.290735D+01 -0.159776D+02 -0.323811D+01
      3  -0.841778D+01  0.533134D+01  0.140965D+02 -0.118232D+02 -0.658349D+01
      4  -0.449335D+00  0.128976D+01  0.152224D+00  0.188940D+02  0.142386D+02
      5   0.503708D+01 -0.216095D+01 -0.288058D+01  0.275267D+02  0.122370D+02
      6  -0.497967D+01  0.758289D+01  0.610662D+01  0.120380D+02  0.946363D+01
               156           157           158           159           160 
      1   0.582825D+01  0.117708D+02  0.424685D+01  0.146085D+01  0.799691D+00
      2  -0.862337D+01 -0.393477D+01  0.283708D+00 -0.260306D+01 -0.449966D+01
      3   0.279511D+01 -0.783606D+01 -0.453056D+01  0.114221D+01  0.369997D+01
      4   0.680412D+01  0.163062D+02  0.147126D+02  0.775470D+01  0.260034D+01
      5   0.175306D+02  0.143826D+02  0.115701D+02  0.838974D+01  0.110972D+02
      6   0.576664D+01  0.104849D+02  0.997824D+01  0.905230D+01  0.376964D+01
               161           162           163           164           165 
      1   0.386780D-01  0.234073D+01  0.166896D+01 -0.593996D+00  0.345514D+01
      2  -0.140241D+01 -0.421189D+01 -0.369726D+01  0.191168D+01 -0.424237D+01
      3   0.136373D+01  0.187116D+01  0.202829D+01 -0.131768D+01  0.787228D+00
      4   0.293476D+01  0.372898D+01 -0.203701D+01  0.548258D+01 -0.284851D+01
      5   0.444784D+01  0.774117D+01  0.776385D+01 -0.378137D+01  0.921601D+01
      6   0.559126D+01  0.322019D+01 -0.270991D+01  0.308175D+01 -0.242232D+01
               166           167           168           169           170 
      1  -0.287937D+00 -0.786517D+01  0.103397D+02  0.110686D+01  0.669129D+01
      2   0.322750D+01 -0.227626D+00  0.766000D+01 -0.476426D+01  0.535883D+01
      3  -0.293957D+01  0.809279D+01 -0.179997D+02  0.365740D+01 -0.120501D+02
      4   0.771293D+01 -0.133218D+02  0.101174D+02 -0.315051D+01  0.674801D+01
      5  -0.819339D+01  0.107086D+02 -0.149987D+02  0.933353D+01 -0.873951D+01
      6   0.638549D+01 -0.215706D+02  0.193075D+02 -0.403329D+01  0.140570D+02
               171           172           173           174           175 
      1  -0.118536D+02  0.182813D+01  0.918272D+00 -0.447394D+01  0.206337D+01
      2  -0.117796D+02 -0.284418D+01  0.472035D-01  0.323944D+01 -0.205721D+01
      3   0.236332D+02  0.101606D+01 -0.965475D+00  0.123451D+01 -0.615791D-02
      4  -0.828504D+01  0.612697D+00  0.190071D+01  0.314887D+01  0.555405D+01
      5   0.153072D+02 -0.469584D+01  0.185900D+01  0.612633D+01  0.257595D+01
      6  -0.162025D+02  0.248272D+01 -0.561956D+00 -0.152803D+01 -0.166352D+01
               176           177           178           179           180 
      1  -0.212456D+01 -0.306451D+01 -0.888567D+01 -0.187587D+01 -0.693492D+01
      2   0.382425D+01  0.181772D+01  0.537753D+01  0.147445D+01 -0.504595D+01
      3  -0.169969D+01  0.124679D+01  0.350815D+01  0.401424D+00  0.119809D+02
      4  -0.848996D+01 -0.606524D+01  0.713819D+01 -0.850000D+01 -0.112452D+02
      5  -0.600200D+01 -0.978973D+01  0.119143D+02 -0.119772D+02 -0.335871D+02
      6   0.547521D+01  0.946285D+01 -0.419032D+01  0.999251D+01  0.171677D+02
               181           182           183           184           185 
      1   0.899098D+01 -0.438287D+01  0.439472D+01 -0.512255D+01 -0.311250D+01
      2  -0.142906D+01 -0.838825D+00 -0.959516D+00 -0.552777D+01  0.231821D+02
      3  -0.756192D+01  0.522170D+01 -0.343520D+01  0.106503D+02 -0.200696D+02
      4  -0.821946D+01  0.120466D+02 -0.536309D+01  0.215633D+02 -0.372097D+02
      5   0.499879D+01 -0.416026D+01  0.346717D+01 -0.611414D+01  0.120173D+02
      6  -0.324867D+01  0.159449D+01 -0.100103D+01  0.374461D+01 -0.969984D+01
               186           187           188           189           190 
      1   0.159979D+01  0.855091D+01  0.809169D+00 -0.217450D+01  0.680303D+02
      2  -0.709682D+01 -0.137895D+01 -0.823766D+01  0.348625D+01 -0.372020D+02
      3   0.549702D+01 -0.717196D+01  0.742850D+01 -0.131175D+01 -0.308282D+02
      4   0.127314D+02 -0.116655D+02  0.171683D+02 -0.117234D+02  0.828266D+01
      5  -0.114629D+02  0.743952D+01 -0.118870D+02  0.101902D+02 -0.634518D+00
      6   0.892915D+01 -0.439711D+01  0.959796D+01 -0.782510D+01 -0.167185D+01
               191           192           193           194           195 
      1   0.163863D+02  0.217500D+01  0.332694D+02  0.124195D+02  0.361499D+00
      2  -0.102579D+02 -0.925175D+00 -0.186697D+02 -0.554005D+01 -0.953252D+00
      3  -0.612835D+01 -0.124982D+01 -0.145997D+02 -0.687944D+01  0.591753D+00
      4   0.109310D+02 -0.116425D-01  0.134108D+02  0.109407D+02  0.228009D+01
      5  -0.611678D+00  0.819951D+01 -0.190212D+01  0.142855D+01  0.451230D+01
      6  -0.660118D+00 -0.832547D+00 -0.701088D+00 -0.171851D+01  0.149675D+01
               196           197           198           199           200 
      1   0.609541D+01  0.280869D+00  0.631547D+01  0.248875D+02 -0.367946D+01
      2  -0.256707D+01 -0.140065D+01 -0.427345D+01 -0.127383D+02  0.139075D+00
      3  -0.352834D+01  0.111978D+01 -0.204202D+01 -0.121492D+02  0.354039D+01
      4  -0.100142D+01  0.305127D+01  0.609825D+00 -0.150725D+02  0.955869D+01
      5   0.103759D+02  0.151144D+01 -0.594130D-01  0.135700D+02 -0.225044D+01
      6  -0.555924D+00  0.184889D+01  0.788206D+00 -0.525854D+01  0.916027D+00
               201           202           203           204           205 
      1   0.105349D+02 -0.909495D+00  0.304406D+01  0.513718D+00  0.157194D+02
      2  -0.597384D+01 -0.120697D+01 -0.921218D+00 -0.111030D+01 -0.952316D+01
      3  -0.456104D+01  0.211646D+01 -0.212284D+01  0.596586D+00 -0.619623D+01
      4  -0.631332D+01  0.817459D+01 -0.342901D+01  0.357701D+01 -0.924398D+01
      5   0.112363D+02 -0.693478D+00  0.357723D+01 -0.245014D+01  0.140303D+02
      6  -0.462311D+01  0.165588D+01 -0.186545D+01  0.379650D+01 -0.652017D+01
               206           207           208           209           210 
      1   0.103620D+00  0.744591D+01 -0.157573D+01  0.458771D+01 -0.280330D+01
      2  -0.209997D+01 -0.682102D+01  0.501648D+01 -0.848529D+01  0.401821D+01
      3   0.199635D+01 -0.624895D+00 -0.344075D+01  0.389758D+01 -0.121491D+01
      4   0.672495D+01 -0.959727D+01 -0.683229D+01  0.119666D+02 -0.498441D+01
      5  -0.522813D+01  0.132553D+02  0.224764D+01 -0.374670D+01  0.419069D+01
      6   0.406448D+01 -0.613372D+01 -0.539424D+01  0.694538D+01 -0.376290D+01
               211           212           213           214           215 
      1   0.351277D+01 -0.300869D+02  0.128353D+02 -0.364779D+01  0.191312D+02
      2  -0.695427D+01  0.459126D+02 -0.166619D+02  0.528984D+01 -0.234364D+02
      3   0.344150D+01 -0.158257D+02  0.382650D+01 -0.164205D+01  0.430517D+01
      4   0.785622D+01 -0.119095D+02  0.578395D+01 -0.503744D+01  0.833825D+01
      5  -0.219743D+01  0.469094D+01 -0.253989D+01  0.368846D+01 -0.459203D+01
      6   0.532488D+01 -0.255475D+02  0.176696D+02 -0.403043D+01  0.254030D+02
               216           217           218           219           220 
      1  -0.157369D+02 -0.140405D+01 -0.488215D+01 -0.346394D+01 -0.318388D+01
      2   0.134029D+02  0.346795D+01  0.100572D+02  0.520171D+01  0.637086D+01
      3   0.233398D+01 -0.206390D+01 -0.517503D+01 -0.173777D+01 -0.318698D+01
      4  -0.479786D+01  0.807375D+01  0.829563D+01  0.546588D+01  0.573340D+01
      5   0.436238D+01  0.287345D+01  0.200156D+01  0.389821D+01  0.145241D+01
      6  -0.206109D+02  0.617907D+01  0.600905D+01  0.505527D+01  0.515095D+01
               221           222           223           224           225 
      1  -0.163088D+02 -0.693149D+01 -0.581399D+01 -0.115880D+02 -0.117122D+02
      2   0.254202D+02  0.994883D+01  0.578273D+01  0.160249D+02  0.110944D+02
      3  -0.911133D+01 -0.301734D+01  0.312506D-01 -0.443689D+01  0.617773D+00
      4   0.658679D+01  0.433803D+01  0.663912D+01  0.568485D+01  0.502457D+01
      5   0.214268D+01  0.120621D+01  0.372343D+01  0.171317D+01  0.314098D+01
      6   0.116911D+02  0.126401D+02  0.636024D+01  0.174792D+02  0.174049D+02
               226           227           228           229           230 
      1   0.109056D+02 -0.605639D+00  0.581374D+01 -0.495411D+01 -0.184520D+01
      2  -0.819295D+01  0.336068D+00 -0.409750D+01  0.358583D+01  0.298129D+01
      3  -0.271267D+01  0.269571D+00 -0.171624D+01  0.136828D+01 -0.113609D+01
      4   0.189765D+01  0.140158D+01  0.322504D+01  0.249722D+01  0.387021D+01
      5   0.719456D+01  0.188618D+01  0.122764D+02  0.111906D+01  0.407662D+01
      6   0.296454D+01  0.883369D+00  0.362466D+01  0.132983D+01  0.950857D+00
               231           232           233           234           235 
      1  -0.234659D+00  0.127096D+02  0.151317D+01  0.528717D+01  0.681382D+02
      2   0.123612D+01 -0.767093D+01  0.113769D+01 -0.116409D+02 -0.399113D+02
      3  -0.100146D+01 -0.503864D+01 -0.265086D+01  0.635375D+01 -0.282269D+02
      4   0.439088D+01  0.854515D+01  0.882884D+01  0.586446D+01  0.586444D+01
      5   0.198104D+00  0.179189D+02  0.407501D+01  0.381321D+02 -0.264483D+02
      6   0.388795D+01  0.611651D+01  0.525654D+01  0.170341D+02 -0.436960D+01
               236           237           238           239           240 
      1  -0.714090D+01 -0.194328D+02 -0.216200D+02  0.592436D+01  0.575072D+01
      2   0.580938D+01  0.131969D+02  0.137905D+02 -0.226087D+01 -0.548741D+01
      3   0.133152D+01  0.623595D+01  0.782955D+01 -0.366349D+01 -0.263319D+00
      4   0.843881D+01 -0.144310D+01  0.683364D+01 -0.315310D+01 -0.454096D+01
      5   0.246836D+01  0.176569D+02  0.750977D+01 -0.566481D+01 -0.629689D+01
      6  -0.920459D+00  0.371903D+01 -0.771223D+00 -0.462473D+00  0.697095D+00
               241           242           243           244           245 
      1  -0.250345D+02  0.224094D+01  0.136250D+02  0.106709D+01  0.622047D+01
      2   0.170560D+02 -0.374938D+01 -0.125828D+02  0.209486D+01 -0.417266D+01
      3   0.797851D+01  0.150843D+01 -0.104220D+01 -0.316195D+01 -0.204781D+01
      4  -0.365995D+01 -0.683202D+01  0.900263D+00  0.344529D+01  0.542674D+01
      5   0.224402D+02 -0.203564D+01 -0.138886D+02 -0.312811D+01 -0.815686D+00
      6   0.424911D+01  0.209592D+01 -0.159522D+01 -0.248099D+01  0.336508D+00
               246           247           248           249           250 
      1  -0.369589D+01  0.458363D+01 -0.216752D+02  0.503635D+01 -0.511707D+01
      2   0.192234D+01  0.359244D+01  0.454498D+02 -0.703926D+01  0.187885D+01
      3   0.177356D+01 -0.817607D+01 -0.237745D+02  0.200291D+01  0.323822D+01
      4  -0.149351D+01  0.165765D+02  0.479355D+02 -0.828656D+01 -0.439348D+01
      5   0.196598D+01 -0.213496D+01 -0.879092D+01  0.730624D+01  0.534496D+01
      6  -0.421966D+00 -0.250889D+01 -0.132461D+02  0.940843D+01  0.239622D+01
               251           252 
      1   0.514711D+01 -0.254138D+01
      2  -0.740999D+01  0.351825D+01
      3   0.226289D+01 -0.976873D+00
      4  -0.996336D+01  0.708863D+01
      5   0.732945D+01 -0.241251D+01
      6   0.102515D+02 -0.463050D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.524165D-01      0.133229D+00      0.444406D+00
   x          0.435381D-03      0.110663D-02      0.369132D-02
   y          0.345650D-01      0.878556D-01      0.293055D+00
   z          0.394025D-01      0.100151D+00      0.334068D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.112085D+03      0.166093D+02      0.184804D+02
   aniso      0.154571D+02      0.229051D+01      0.254853D+01
   xx         0.122105D+03      0.180941D+02      0.201325D+02
   yx        -0.124918D+00     -0.185110D-01     -0.205963D-01
   yy         0.109055D+03      0.161603D+02      0.179807D+02
   zx         0.628410D+00      0.931207D-01      0.103611D+00
   zy        -0.115230D+00     -0.170753D-01     -0.189988D-01
   zz         0.105096D+03      0.155736D+02      0.173280D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.115614D+03      0.171322D+02      0.190621D+02
   aniso      0.158004D+02      0.234137D+01      0.260513D+01
   xx         0.125865D+03      0.186512D+02      0.207523D+02
   yx        -0.127800D+00     -0.189379D-01     -0.210713D-01
   yy         0.112470D+03      0.166663D+02      0.185438D+02
   zx         0.662815D+00      0.982190D-01      0.109283D+00
   zy        -0.146836D+00     -0.217588D-01     -0.242100D-01
   zz         0.108506D+03      0.160790D+02      0.178903D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.89938988          1.25505079          1.68977102
     6         -2.50302057         -1.25045656          0.21936361
     6         -0.48334272          2.86832662          2.03732938
     6          1.46379954          2.29146733         -0.01757844
     6          2.27887973         -0.54602714          0.07366511
     6         -0.17429523         -1.04637655         -1.49381017
     6          0.06446545          1.68920227         -2.52153335
     1         -3.78062086          0.86848788          3.51469629
     6         -4.86966676         -1.93446403         -1.28353076
     1         -2.16412252         -2.78110531          1.56444834
     1          2.97867149          3.69261183         -0.05096073
     6          2.59485097         -1.82374096          2.63327704
     6          4.66470237         -1.03383009         -1.48144267
     1         -0.10638463         -2.60546485         -2.84659226
     1          1.27572488          1.82127731         -4.17417637
     1         -1.67623718          2.72101427         -2.90575484
     1          0.98969729         -1.56434635          3.89105677
     1          4.26551797         -1.08393344          3.59769423
     1          2.87207004         -3.85669751          2.39119106
     1          4.59040970         -0.17719510         -3.35158912
     1          4.95723845         -3.06303116         -1.73351168
     1          6.32406432         -0.27738274         -0.51141232
     1         -4.27339435          2.37886122          0.63771247
     1         -0.99471972          4.86790299          1.96088672
     1          0.35849874          2.56171428          3.89581953
     1         -5.23613029         -0.53547761         -2.75884273
     1         -6.53218524         -2.00550346         -0.06142526
     1         -4.67000305         -3.77666064         -2.19231831

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.524165D-01      0.133229D+00      0.444406D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.524165D-01      0.133229D+00      0.444406D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.112085D+03      0.166093D+02      0.184804D+02
   aniso      0.154571D+02      0.229051D+01      0.254853D+01
   xx         0.122094D+03      0.180925D+02      0.201306D+02
   yx        -0.570272D+00     -0.845056D-01     -0.940252D-01
   yy         0.107451D+03      0.159226D+02      0.177163D+02
   zx         0.523973D+00      0.776448D-01      0.863915D-01
   zy         0.194152D+01      0.287703D+00      0.320113D+00
   zz         0.106711D+03      0.158129D+02      0.175943D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.115614D+03      0.171322D+02      0.190621D+02
   aniso      0.158004D+02      0.234137D+01      0.260513D+01
   xx         0.125853D+03      0.186495D+02      0.207504D+02
   yx        -0.596095D+00     -0.883322D-01     -0.982828D-01
   yy         0.110895D+03      0.164330D+02      0.182842D+02
   zx         0.551070D+00      0.816601D-01      0.908591D-01
   zy         0.193952D+01      0.287408D+00      0.319784D+00
   zz         0.110092D+03      0.163140D+02      0.181518D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U23-24\Freq\RM11\Gen\C10H18\PIERPA\22-Jul-2021\0\\#P M11/
 Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=Rea
 d Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,-1.52888,1.093729,0
 .246966\C,-1.321456,-0.416759,0.534617\C,-0.251555,1.852797,-0.188359\
 C,0.77071,0.903021,-0.813047\C,1.207111,-0.195282,0.209826\C,-0.097064
 ,-0.937248,-0.228322\C,0.020234,-0.208022,-1.592788\H,-1.986528,1.5782
 25,1.111675\C,-2.579256,-1.209394,0.185867\H,-1.133681,-0.556858,1.602
 321\H,1.569849,1.44626,-1.321922\C,1.387674,0.189094,1.672498\C,2.4635
 56,-0.935948,-0.24905\H,-0.064495,-2.029648,-0.222695\H,0.653697,-0.73
 4184,-2.30161\H,-0.904266,0.071251,-2.098034\H,0.543396,0.73385,2.0893
 72\H,2.274733,0.817174,1.790633\H,1.536666,-0.70458,2.284391\H,2.41460
 6,-1.247642,-1.291582\H,2.620603,-1.831637,0.357494\H,3.34463,-0.29927
 1,-0.134439\H,-2.262427,1.175948,-0.557656\H,-0.525798,2.622427,-0.914
 283\H,0.202587,2.37796,0.654229\H,-2.781972,-1.16707,-0.887575\H,-3.45
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 ... A MOLECULAR SYSTEM ... (PASSES) ... FROM ONE STATE OF EQUILIBRIUM 
 TO ANOTHER ... BY MEANS OF ALL POSSIBLE INTERMEDIATE PATHS, 
 BUT THE PATH MOST ECONOMICAL OF ENERGY WILL BE THE MORE OFTEN TRAVELED.

                      -- HENRY EYRING, 1945
 Job cpu time:       0 days  5 hours 31 minutes 44.0 seconds.
 Elapsed time:       0 days  0 hours 27 minutes 43.5 seconds.
 File lengths (MBytes):  RWF=    382 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul 22 19:21:17 2021.
